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Compound Detail

CHEMBL5983729

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O=c1cc(N2CCOCC2)cc(N2CCCC(F)(F)C[C@@H]2Cc2ccccc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5983729
Phase Preclinical
Structure Type MOL
InChI Key SJZYKHVARMVHGJ-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.45
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27F2N3O2
MW 403.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 7.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 7.95 7.95 11.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 11.2 nM 7.95 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine