Drug Information
| Drug General Information | |||||
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| Drug ID |
DX9BDL
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| Drug Name |
3-tert-Butoxycarbonylamino-N-[1-[1-({[1-{1-[1-(2-carbamoyl-3-phenyl-propionylamino)-2-carboxy-ethylcarbamoyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-carbamoyl)-pentylcarbamoyl]-2-(4-sulfooxy-phenyl)-ethyl]-succinamic acid
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| Synonyms |
CHEMBL1160492
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C56H74N10O18S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)NC(=O)[C@@H](Cc4ccccc4)C(=O)N
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| InChI |
InChI=1S/C56H74N10O18S/c1-6-8-18-39(61-52(76)41(26-33-21-23-35(24-22-33)84-85(80,81)82)63-54(78)43(28-46(68)69)64-55(79)83-56(3,4)5)50(74)59-31-45(67)60-42(27-34-30-58-38-20-14-13-17-36(34)38)53(77)62-40(19-9-7-2)51(75)66-44(29-47(70)71)65-49(73)37(48(57)72)25-32-15-11-10-12-16-32/h10-17,20-24,30,37,39-44,58H,6-9,18-19,25-29,31H2,1-5H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,77)(H,63,78)(H,64,79)(H,65,73)(H,66,75)(H,68,69)(H,70,71)(H,80,81,82)/t37-,39-,40-,41-,42+,43?,44+/m0/s1
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| InChIKey |
SBMRIYCGYSYWIJ-OMEPFRQKSA-N
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| Target and Pathway | |||||
| Target(s) | Gastrin/cholecystokinin type B receptor | Target Info | [1587926] | ||
| Cholecystokinin receptor type A | Target Info | [1587926] | |||
| PANTHER Pathway | CCKR signaling map ST | ||||
| PathWhiz Pathway | Gastric Acid Production | ||||
| References | |||||
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