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Compound Detail

CHEMBL4534395

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Fc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4534395
Phase Preclinical
Structure Type MOL
InChI Key ZWISIULSYYRDRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.4
MW (Da)
7.05
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13F7N4O2
MW 498.36
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1703
CHEMBL1075522
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1703 IC50 = 100.0 nM 7.0 Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... -

Data from ChEMBL 36 via Core Engine