Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B4PI
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| Former ID |
DNC003961
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| Drug Name |
Y-c[D-Pen-(2R,3S)-2-Me-(2')Nal-GSFC]KR-NH2
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| Synonyms |
CHEMBL262212; BDBM50064837
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C57H78N14O11S2
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| Canonical SMILES |
CC(C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSC(C(C(=O)N1)NC(=O)C(CC2=CC=C(C=C2)O)N)(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)CC3=CC=CC=C3)CO)C4=CC5=CC=CC=C5C=C4
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| InChI |
1S/C57H78N14O11S2/c1-32(36-21-20-35-14-7-8-15-37(35)28-36)46-54(81)64-29-45(74)65-43(30-72)52(79)68-42(27-33-12-5-4-6-13-33)51(78)69-44(53(80)67-41(16-9-10-24-58)50(77)66-40(48(60)75)17-11-25-63-56(61)62)31-83-84-57(2,3)47(55(82)70-46)71-49(76)39(59)26-34-18-22-38(73)23-19-34/h4-8,12-15,18-23,28,32,39-44,46-47,72-73H,9-11,16-17,24-27,29-31,58-59H2,1-3H3,(H2,60,75)(H,64,81)(H,65,74)(H,66,77)(H,67,80)(H,68,79)(H,69,78)(H,70,82)(H,71,76)(H4,61,62,63)/t32-,39+,40+,41+,42-,43+,44-,46-,47+/m1/s1
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| InChIKey |
HWTDVIKHJPOWJP-JDMNTRJUSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographica... J Med Chem. 1998 Jun 18;41(13):2252-60. | |||
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