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Compound Detail

CHEMBL5417863

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Cc1cc(Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417863
Phase Preclinical
Structure Type MOL
InChI Key OVKXLAMBGQHZFS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
5.90
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClNO2
MW 389.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.57

Activity Summary

IC50 2 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
U-87 MG
CHEMBL614247
 IC50 4.38 4.38 41280.0 1
GL261
CHEMBL4483239
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-87 MG IC50 = 41280.0 nM 4.38 Anti-proliferative activity against human U-87 MG cells assessed as cell viabili... 37861443
GL261 IC50 = 100000.0 nM 4.0 Anti-proliferative activity against mouse GL261 cells assessed as cell viability... 37861443

Literature References

PubMed DOI Target Context # Activities
37861443 10.1021/acs.jmedchem.3c01090 U-87 MG 1
37861443 10.1021/acs.jmedchem.3c01090 GL261 1

Data from ChEMBL 36 via Core Engine