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Compound Detail

CHEMBL6041123

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Cc1ccccc1C[C@H]1CCCCCN1c1cc(N2CCOCC2)cc(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6041123
Phase Preclinical
Structure Type MOL
InChI Key GRCHKEVBJJXYKT-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
3.51
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2
MW 381.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 7.86 7.86 13.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 13.7 nM 7.86 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine