Drug General Information
Drug ID
D0VM5U
Former ID
DNC000834
Drug Name
KJM429
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535565]
Structure
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2D MOL

3D MOL

Formula
C55H74BFN6O12
Canonical SMILES
B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O.<br />CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.<br />C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI
1S/C22H29FO5.C19H25BN4O4.C14H20N2O3/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16;17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25);3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)/t12-,15+,16+,17+,19+,20+,21+,22+;15-,17-;/m10./s1
InChIKey
HVABOKYGXPXKMQ-AQJRQPIQSA-N
CAS Number
CAS 179324-69-7
PubChem Compound ID
PubChem Substance ID
ChEBI ID
ChEBI:52717
SuperDrug ATC ID
L01XX32
SuperDrug CAS ID
cas=179324697
Target and Pathway
Target(s) Vanilloid receptor 1 Target Info Antagonist [535565]
KEGG Pathway Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
NetPath Pathway IL2 Signaling Pathway
Pathway Interaction Database Trk receptor signaling mediated by the MAPK pathway
Trk receptor signaling mediated by PI3K and PLC-gamma
Reactome TRP channels
References
Ref 535565High affinity antagonists of the vanilloid receptor. Mol Pharmacol. 2002 Oct;62(4):947-56.
Ref 535565High affinity antagonists of the vanilloid receptor. Mol Pharmacol. 2002 Oct;62(4):947-56.

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