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Compound Detail

CHEMBL3604900

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CN(C(=O)c1cc(Cl)ccc1O)c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604900
Phase Preclinical
Structure Type MOL
InChI Key SSOFRQAQZZUGNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.7
MW (Da)
4.34
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClF3NO2
MW 329.70
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
26272032 10.1016/j.bmc.2015.07.001 Unchecked 1
26272032 10.1016/j.bmc.2015.07.001 HEK293 1
26272032 10.1016/j.bmc.2015.07.001 HCT-116 1

Data from ChEMBL 36 via Core Engine