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Compound Detail

CHEMBL6004179

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C[C@H]1CCCN(c2nc(N3CCOCC3)cc(=O)[nH]2)[C@@H](Cc2ccc(F)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6004179
Phase Preclinical
Structure Type MOL
InChI Key JLAJAIQKCFBKIT-QFBILLFUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.98
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29FN4O2
MW 400.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 8.28 8.28 5.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine-protein kinase ATM IC50 = 5.3 nM 8.28 Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... -

Data from ChEMBL 36 via Core Engine