U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27Cl2FN6O3
Molecular Weight 561.435
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENSARTINIB

SMILES

C[C@@H](OC1=CC(=NN=C1N)C(=O)NC2=CC=C(C=C2)C(=O)N3C[C@H](C)N[C@H](C)C3)C4=C(Cl)C=CC(F)=C4Cl

InChI

InChIKey=GLYMPHUVMRFTFV-QLFBSQMISA-N
InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.4 nM [IC50]
0.74 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Insights into ALK-driven cancers revealed through development of novel ALK tyrosine kinase inhibitors.
2011 Jul 15
Name Type Language
ENSARTINIB
INN   WHO-DD  
INN   USAN  
Official Name English
ENSARTINIB [USAN]
Common Name English
ENSARTINIB [INN]
Common Name English
X-396
Code English
6-AMINO-5-((1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)- N-(4-((3R,5S)-3,5-DIMETHYLPIPERAZINE- 1-CARBONYL)PHENYL)PYRIDAZINE-3-CARBOXAMIDE
Systematic Name English
ENSARTINIB [WHO-DD]
Common Name English
3-PYRIDAZINECARBOXAMIDE, 6-AMINO-5-((1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-N-(4-(((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)CARBONYL)PHENYL)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
NCI_THESAURUS C141136
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
Code System Code Type Description
CAS
1370651-20-9
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
PRIMARY
PUBCHEM
56960363
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
PRIMARY
INN
10339
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
PRIMARY
NCI_THESAURUS
C102754
Created by admin on Mon Oct 21 22:44:28 UTC 2019 , Edited by admin on Mon Oct 21 22:44:28 UTC 2019
PRIMARY