Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00XOV
|
|||
| Former ID |
DIB018937
|
|||
| Drug Name |
B3C
|
|||
| Synonyms |
compound 23 [PMID: 18752942]
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C44H51N5O8
|
|||
| Canonical SMILES |
CC1=CC=C(C=C1)COC2CC(N(C2)C(=O)C(CCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)NC(CCCCN)C(C5=NC6=CC=CC=C6O5)(O)O
|
|||
| InChI |
1S/C44H51N5O8/c1-30-19-21-33(22-20-30)28-55-34-26-37(40(50)48-39(18-10-11-25-45)44(53,54)42-46-35-16-8-9-17-38(35)57-42)49(27-34)41(51)36(24-23-31-12-4-2-5-13-31)47-43(52)56-29-32-14-6-3-7-15-32/h2-9,12-17,19-22,34,36-37,39,53-54H,10-11,18,23-29,45H2,1H3,(H,47,52)(H,48,50)/t34-,36-,37+,39+/m1/s1
|
|||
| InChIKey |
KGNDCEVUMONOKF-UGPLYTSKSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Channel-activating protease 1 (CAP1) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg Med Chem Lett. 2008 Nov 15;18(22):5895-9. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.