Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5431878

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(Cc2c[nH]c3ccc(F)cc23)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431878
Phase Preclinical
Structure Type MOL
InChI Key GCQIAAMCCOXMDD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
4.22
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FNO
MW 269.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.35

Activity Summary

IC50 2 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GL261
CHEMBL4483239
 IC50 4.72 4.72 19170.0 1
U-87 MG
CHEMBL614247
 IC50 4.26 4.26 55100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GL261 IC50 = 19170.0 nM 4.72 Anti-proliferative activity against mouse GL261 cells assessed as cell viability... 37861443
U-87 MG IC50 = 55100.0 nM 4.26 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