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

CHEMBL114789

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
Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)cc(O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114789
Phase Preclinical
Structure Type MOL
InChI Key ASAPATXEZLAULW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
4.21
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11F3N2O
MW 304.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
7932568 10.1021/jm00046a025 Tubulin 1
7932568 10.1021/jm00046a025 K562 1
7932568 10.1021/jm00046a025 NCI-H226 1
7932568 10.1021/jm00046a025 HCT-116 1
7932568 10.1021/jm00046a025 KM-20L2 1
7932568 10.1021/jm00046a025 SF-268 1
7932568 10.1021/jm00046a025 SF-295 1
7932568 10.1021/jm00046a025 SK-MEL-5 1
7932568 10.1021/jm00046a025 OVCAR-3 1
7932568 10.1021/jm00046a025 OVCAR-4 1
7932568 10.1021/jm00046a025 RXF 393 1
7932568 10.1021/jm00046a025 DU-145 1
7932568 10.1021/jm00046a025 MDA-N 1

Data from ChEMBL 36 via Core Engine