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Compound Detail

CHEMBL5898766

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COc1ccccc1C[C@H]1[C@H](C)CCN1c1nc(N2CCOCC2)cc(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5898766
Phase Preclinical
Structure Type MOL
InChI Key QXQIZXCSTYLMOA-WBVHZDCISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.07
ALogP
6
HBA
1
HBD
70.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O3
MW 384.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 8.15 8.15 7.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 7.1 nM 8.15 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine