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Details

Stereochemistry ACHIRAL
Molecular Formula C27H32FN5O2
Molecular Weight 477.5747
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-1390

SMILES

CC(C)n1c2c3cc(-c4ccc(nc4)OCCCN5CCCCC5)c(cc3ncc2n(C)c1=O)F

InChI

InChIKey=VQSZIPCGAGVRRP-UHFFFAOYSA-N
InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C27H32FN5O2
Molecular Weight 477.5747
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q13315
Gene ID: 472.0
Gene Symbol: ATM
Target Organism: Homo sapiens (Human)
0.78 nM [IC50]
PubMed

PubMed

TitleDatePubMed
The brain-penetrant clinical ATM inhibitor AZD1390 radiosensitizes and improves survival of preclinical brain tumor models.
2018 Jun
Substance Class Chemical
Created
by admin
on Sat Jun 26 01:25:41 UTC 2021
Edited
by admin
on Sat Jun 26 01:25:41 UTC 2021
Record UNII
CI43QFE22O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-1390
Code English
AZD1390
Code English
7-FLUORO-1-ISOPROPYL-3-METHYL-8-(-(3-(1-PIPERIDINYL)PROPOXY)-3-PYRIDINYL)-1,3-DIHYDRO-2HIMIDAZO(4,5-C)QUINOLIN-2-ONE
Common Name English
2H-IMIDAZO(4,5-C)QUINOLIN-2-ONE, 7-FLUORO-1,3-DIHYDRO-3-METHYL-1-(1-METHYLETHYL)-8-(6-(3-(1-PIPERIDINYL)PROPOXY)-3-PYRIDINYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
126689157
Created by admin on Sat Jun 26 01:25:41 UTC 2021 , Edited by admin on Sat Jun 26 01:25:41 UTC 2021
PRIMARY
NCI_THESAURUS
C150167
Created by admin on Sat Jun 26 01:25:41 UTC 2021 , Edited by admin on Sat Jun 26 01:25:41 UTC 2021
PRIMARY NCIT
FDA UNII
CI43QFE22O
Created by admin on Sat Jun 26 01:25:41 UTC 2021 , Edited by admin on Sat Jun 26 01:25:41 UTC 2021
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR
CELL ASSAY
IC50
OFF-TARGET->INHIBITOR
IC50
BINDER->LIGAND
BINDING
Related Record Type Details
ACTIVE MOIETY