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Compound Detail

CHEMBL4755900

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CONC(=O)c1ccccc1Nc1cc(Nc2cnn3c2CC(C)(C)CC3)ncc1Cl

Basic Information

ChEMBL ID CHEMBL4755900
Phase Preclinical
Structure Type MOL
InChI Key MFWDOZDWZJHJCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.9
MW (Da)
4.68
ALogP
7
HBA
3
HBD
93.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN6O2
MW 440.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.29 8.29 5.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5.1 nM 8.29 Inhibition of tracer 236 binding to recombinant human GST-tagged full length FAK... 32784087

Literature References

PubMed DOI Target Context # Activities
32784087 10.1016/j.bmcl.2020.127459 Unchecked 1

Data from ChEMBL 36 via Core Engine