Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0082
Competitor Name
FK866
Synonyms
Daporinad; 658084-64-1; FK866; FK-866; APO-866; APO866; 201034-75-5; FK 866; Daporinad [INN]; (E)-N-(4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL)-3-(PYRIDIN-3-YL)ACRYLAMIDE; APO 866; (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide; (E)-Daporinad; FK866 hydrochloride hydrate; V71TF6V9M7; N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; K 22.175; (2E)-N-(4-(1-Benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)prop-2-enamide; (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide; 1198425-96-5; 2gvj; (2e)-N-{4-[1-(Benzenecarbonyl)piperidin-4-Yl]butyl}-3-(Pyridin-3-Yl)prop-2-Enamide; UNII-V71TF6V9M7; (2E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(pyridin-3-yl)prop-2-enamide; C24H29N3O2; DGB; 4o1b; 4o1d; Daporinad (APO866); DAPORINAD [WHO-DD]; CHEMBL566757; GTPL7745; BDBM81395; CHEBI:94671; Daporinad(FK866,APO866)?; EX-A430; 2g97; CHEBI:187413; KPBNHDGDUADAGP-VAWYXSNFSA-N; Daporinad (FK866, APO866); DTXSID101026050; GLXC-04558; BCP01909; FD5006; MFCD10565943; n-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2e-propenamide; NSC760442; NSC777194; s2799; AKOS015994576; N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-(PYRIDIN-3-YL)PROP-2-ENAMIDE; BCP9000687; CCG-208012; DB12731; ES-0047; NSC 751605; NSC-760442; NSC-777194; NCGC00182868-04; NS00069346; A850039; A930135; EN300-24106674; BRD-K58550667-001-01-2; Q27076984; (E)-N-[4-(1-Benzoyl-piperidin-4-yl)-butyl]-3-pyridin-3-yl-acrylamide; (E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide; 2-PROPENAMIDE, N-(4-(1-BENZOYL-4-PIPERIDINYL)BUTYL)-3-(3-PYRIDINYL)-, (2E)-; FK 866;(E)-N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; Nicotinamide Phosphoribosyltransferase Inhibitor, FK866 - CAS 658084-64-1; (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide; APO 866; K 22.175;; 658084-94-7
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 391.5
Lipid-water partition coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C24H29N3O2
IUPAC Name
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
Canonical SMILES
C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
InChIKey
KPBNHDGDUADAGP-VAWYXSNFSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 2 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
AEA-DA
 Probe Info  		5 uM Human lung adenocarcinoma cells (A-549) [1]
A-DA
 Probe Info  		5 uM Human lung adenocarcinoma cells (A-549) [1]

Target(s) List of this Competitor

29 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Aldehyde dehydrogenase 1A1 (ALDH1A1) LDTP01767 7.55  LDD0146 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 2.00  LDD0142 
Aldo-keto reductase family 1 member C1 (AKR1C1) LDTP05436 9.33  LDD0146 
Aldo-keto reductase family 1 member C2 (AKR1C2) LDTP04543 9.20  LDD0146 
Aldo-keto reductase family 1 member C3 (AKR1C3) LDTP03976 3.25  LDD0142 
Arylsulfatase L (ARSL) LDTP04453 2.29  LDD0142 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 20.00  LDD0146 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 4.38  LDD0142 
Cytochrome P450 4F12 (CYP4F12) LDTP12267 2.42  LDD0146 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 20.00  LDD0146 
Delta(24)-sterol reductase (DHCR24) LDTP06375 2.32  LDD0142 
Fatty acid 2-hydroxylase (FA2H) LDTP07963 2.22  LDD0142 
Ferrochelatase, mitochondrial (FECH) LDTP03198 4.83  LDD0142 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 3.29  LDD0142 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 2.42  LDD0142 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 10.58  LDD0142 
Patatin-like phospholipase domain-containing protein 2 (PNPLA2) LDTP10077 2.17  LDD0142 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 2.13  LDD0142 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.58  LDD0142 
Prostaglandin reductase 1 (PTGR1) LDTP06227 2.74  LDD0142 
Prostaglandin reductase 2 (PTGR2) LDTP08979 5.15  LDD0146 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 2.14  LDD0142 
Retinol dehydrogenase 10 (RDH10) LDTP08722 3.13  LDD0142 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 2.20  LDD0142 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 4.27  LDD0142 
Short-chain dehydrogenase/reductase 3 (DHRS3) LDTP01349 2.04  LDD0142 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 4.00  LDD0142 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 2.44  LDD0142 
UDP-glucuronosyltransferase 1A7 (UGT1A7) LDTP12147 2.11  LDD0142 
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⏷ Show the Full List of 29 Enzyme
3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 3.09  LDD0142 
Protein unc-93 homolog B1 (UNC93B1) LDTP11760 2.06  LDD0142 
Zinc transporter SLC39A7 (SLC39A7) LDTP09769 2.32  LDD0142 
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2 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Annexin A4 (ANXA4) LDTP02354 2.03  LDD0142 
Regulator of microtubule dynamics protein 2 (RMDN2) LDTP10567 2.06  LDD0142 
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Full Information of The Labelling Profiles of This Competitor

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 5 uM
Quantitative Method SILAC
Competitor Name FK866
Competitor Concentration 25 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lung
Disease Model Lung adenocarcinoma [ICD-11:2C25]
Model Name Human lung adenocarcinoma cells (A-549)
Interaction Atlas ID  LDD0142  Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 5 uM
Quantitative Method SILAC
Competitor Name FK866
Competitor Concentration 25 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lung
Disease Model Lung adenocarcinoma [ICD-11:2C25]
Model Name Human lung adenocarcinoma cells (A-549)
Interaction Atlas ID  LDD0146  Download The Altas

References

1 A Global Map of Lipid-Binding Proteins and Their Ligandability in Cells. Cell. 2015 Jun 18;161(7):1668-80. doi: 10.1016/j.cell.2015.05.045.