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Compound Detail

CHEMBL5413828

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Cc1cc(Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5413828
Phase Preclinical
Structure Type MOL
InChI Key NHPSRZJEKIXTMN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
6.26
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClNO
MW 375.90
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GL261
CHEMBL4483239
 IC50 4.26 4.26 54910.0 1
U-87 MG
CHEMBL614247
 IC50 4.06 4.06 87790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GL261 IC50 = 54910.0 nM 4.26 Anti-proliferative activity against mouse GL261 cells assessed as cell viability... 37861443
U-87 MG IC50 = 87790.0 nM 4.06 Anti-proliferative activity against human U-87 MG cells assessed as cell viabili... 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