Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U1BA
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| Former ID |
DNC006628
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| Drug Name |
Ac-Cys-Ile-Phe(4-NO2)-Lys-Tyr-Phe(4-NO2)
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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 |
C44H57N9O13S
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)NC(=O)C(CS)NC(=O)C
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| InChI |
1S/C44H57N9O13S/c1-4-25(2)38(51-42(59)37(24-67)46-26(3)54)43(60)49-35(21-27-8-14-30(15-9-27)52(63)64)40(57)47-33(7-5-6-20-45)39(56)48-34(22-29-12-18-32(55)19-13-29)41(58)50-36(44(61)62)23-28-10-16-31(17-11-28)53(65)66/h8-19,25,33-38,55,67H,4-7,20-24,45H2,1-3H3,(H,46,54)(H,47,57)(H,48,56)(H,49,60)(H,50,58)(H,51,59)(H,61,62)/t25?,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
YSCBRLXTMTYHMK-LBNFHWTGSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and structure-activity relationships of linear and conformationally constrained peptide analogues of CIYKYY as Src tyrosine kinase inhibi... J Med Chem. 2006 Jun 1;49(11):3395-401. | |||
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