Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0QQ4Z
|
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| Former ID |
DNC000864
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| Drug Name |
LB30812
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C30H33F3N6O6S
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| Canonical SMILES |
C1CN(CC1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)N.C(=O)(C(F)(F)F)O
|
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| InChI |
1S/C28H32N6O4S.C2HF3O2/c29-26(30)22-13-11-19(12-14-22)17-32-27(35)23-15-16-34(18-23)28(36)25(33-39(31,37)38)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21;3-2(4,5)1(6)7/h1-14,23-25,33H,15-18H2,(H3,29,30)(H,32,35)(H2,31,37,38);(H,6,7)/t23-,25-;/m1./s1
|
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| InChIKey |
RNDLEWFHHMPODL-ZHEQYFEDSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Efficacious and orally bioavailable thrombin inhibitors based on a 2,5-thienylamidine at the P1 position: discovery of N-carboxymethyl-d-diphenylalanyl-l-prolyl[(5-amidino-2-thienyl)methyl]amide. J Med Chem. 2003 Aug 14;46(17):3612-22. | |||
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