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Compound Detail

CHEMBL5900940

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O=c1cc(N2CCOCC2)nc(N2CCCCC[C@@H]2Cc2cccc3c2OCC3)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5900940
Phase Preclinical
Structure Type MOL
InChI Key MZMSXWAADOBPFD-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.53
ALogP
6
HBA
1
HBD
70.7
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 C23H30N4O3
MW 410.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 8.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 8.41 8.41 3.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 3.9 nM 8.41 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine