Drug Details

Name:

CHEMBL66389

PubChem ID:

13844742

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)

SMILES:

OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCC1CNc2c(C1C)c(=O)nc([nH]2)N

Properties:

Formula:	C22H27N5O6	Atoms:	33
Molecular Weight:	457.48	Rotatable Bonds:	10
H-bond Acceptors:	10	H-bond Donors:	6
logP:	2.288

Targets:

Name	Uniprot ID	Source	References	Interaction
Bifunctional purine biosynthesis protein PURH	PUR9_HUMAN	BindingDB	-	shows
Dihydrofolate reductase	DYR_LACCA	BindingDB	-	shows
Thymidylate synthase	TYSY_LACCA	BindingDB	-	shows

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Synonyms:

CHEBI:208155

CHEMBL66389

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