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Compound Detail

CHEMBL5437494

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

Basic Information

ChEMBL ID CHEMBL5437494
Phase Preclinical
Structure Type MOL
InChI Key KSICBPUDEOOBSJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
4.09
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO
MW 265.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.15

Activity Summary

IC50 2 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
U-87 MG
CHEMBL614247
 IC50 5.1 5.1 7963.0 1
GL261
CHEMBL4483239
 IC50 4.89 4.89 12740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-87 MG IC50 = 7963.0 nM 5.1 Anti-proliferative activity against human U-87 MG cells assessed as cell viabili... 37861443
GL261 IC50 = 12740.0 nM 4.89 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