Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0VM5U
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| Former ID |
DNC000834
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| Drug Name |
KJM429
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [535565] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C55H74BFN6O12
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| 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
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| 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
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| InChIKey |
HVABOKYGXPXKMQ-AQJRQPIQSA-N
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| CAS Number |
CAS 179324-69-7
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| ChEBI ID |
ChEBI:52717
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| SuperDrug ATC ID |
L01XX32
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| SuperDrug CAS ID |
cas=179324697
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| Target and Pathway | |||||
| Target(s) | Vanilloid receptor 1 | Target Info | Antagonist | [535565] | |
| 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 | |||||
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