SU-11652

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27ClN4O2
Molecular Weight	414.928
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C

InChI

InChIKey=XPLJEFSRINKZLC-ATVHPVEESA-N

InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-

HIDE SMILES / InChI

Molecular Formula	C22H27ClN4O2
Molecular Weight	414.928
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Sphingomyelin phosphodiesterase 7 Target ID: P17405 Gene ID: 6609.0 Gene Symbol: SMPD1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23920274	Inhibitor 8297
Receptor-type tyrosine-protein kinase FLT3 4 Target ID: P36888 Gene ID: 2322.0 Gene Symbol: FLT3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23216927	Inhibitor 8297	1.5 nM [IC50]
Fibroblast growth factor receptor 1 45 Target ID: P11362\|\|\|Q14307\|\|\|Q9UDF2 Gene ID: 2260.0 Gene Symbol: FGFR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12646019	Inhibitor 8297	0.17 µM [IC50]
Platelet-derived growth factor receptor beta 56 Target ID: P09619 Gene ID: 5159.0 Gene Symbol: PDGFRB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12646019	Inhibitor 8297	0.003 µM [IC50]
Vascular endothelial growth factor receptor 2 104 Target ID: P35968 Gene ID: 3791.0 Gene Symbol: KDR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12646019	Inhibitor 8297	0.027 µM [IC50]

PubMed

Title	Date	PubMed
Sunitinib and SU11652 inhibit acid sphingomyelinase, destabilize lysosomes, and inhibit multidrug resistance.	2013 Oct	23920274
Pyrrole-indolinone SU11652 targets the nucleoside diphosphate kinase from Leishmania parasites.	2017 Jul 1	28499874

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:02:40 UTC 2023` Edited by `admin` on `Sat Dec 16 12:02:40 UTC 2023`
Record UNII	1C7AZL970U
Record Status	`Validated (UNII)`
Record Version