Drug Details

Name:

CHEMBL275924

PubChem ID:

44312282

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C46H72N12O11S2/c1-26(52-45(69)37(46(2,3)71)58-40(64)30(49)21-28-15-17-29(60)18-16-28)39(63)51-23-36(61)53-34(24-59)43(67)56-33(22-27-11-5-4-6-12-27)42(66)57-35(25-70)44(68)55-32(14-8-10-20-48)41(65)54-31(38(50)62)13-7-9-19-47/h4-6,11-12,15-18,26,30-35,37,59-60,70-71H,7-10,13-14,19-25,47-49H2,1-3H3,(H2,50,62)(H,51,63)(H,52,69)(H,53,61)(H,54,65)(H,55,68)(H,56,67)(H,57,66)(H,58,64)/t26-,30+,31+,32+,33+,34+,35+,37-/m1/s1

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C(S)(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C)CO)Cc1ccccc1)CS

Properties:

Formula:	C46H72N12O11S2	Atoms:	71
Molecular Weight:	1033.27	Rotatable Bonds:	40
H-bond Acceptors:	25	H-bond Donors:	16
logP:	2.3366

Targets:

Name	Uniprot ID	Source	References	Interaction
Proto-oncogene tyrosine-protein kinase Src	SRC_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:215834

CHEMBL275924

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