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Compound Detail

CHEMBL1366482

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O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1366482
Phase Preclinical
Structure Type MOL
InChI Key ZNSQBTBEQOALTN-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
4.90
ALogP
5
HBA
0
HBD
64.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H10F3NO4
MW 373.29
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NS3
CHEMBL1293269
 IC50 4.66 4.66 22150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NS3 IC50 = 22150.0 nM 4.66 PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... -

Data from ChEMBL 36 via Core Engine