Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RQ2T
|
|||
| Former ID |
DNC004176
|
|||
| Drug Name |
Macrocyclic tripeptide motif
|
|||
| Synonyms |
macrocyclic tripeptide motif; CHEMBL317974
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C36H45N9O8
|
|||
| Canonical SMILES |
C1CC2C(=O)NC(C(=O)C(=O)NC(C(=O)NC(C=CC(=O)NCC(C(=O)N2C1)NC=O)CC3=CC=C(C=C3)O)CC4=CC=CC=C4)CCCN=C(N)N
|
|||
| InChI |
1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12-/t24-,26+,27-,28+,29+/m0/s1
|
|||
| InChIKey |
CDWXSPKJKIUEQF-SMUYMMTFSA-N
|
|||
| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif, Bioorg. Med. Chem. Lett. 6(24):2947-2952 (1996). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.