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Compound Detail

CHEMBL5744301

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O=c1cc(N2CCOCC2)nc(N2CC[C@@H](O)[C@@H]2Cc2ccccc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5744301
Phase Preclinical
Structure Type MOL
InChI Key YXIWZQAQHRHWGE-JKSUJKDBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
0.79
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O3
MW 356.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 8.17 8.17 6.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 6.8 nM 8.17 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine