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Compound Detail

CHEMBL1504768

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OC1=C2C(=Nc3cc4c(cc3C2c2ccc(F)cc2)OCCO4)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1504768
Phase Preclinical
Structure Type MOL
InChI Key BHJBXAIVUUAOQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
3.61
ALogP
5
HBA
1
HBD
60.3
PSA (Ų)
0.86
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 C19H14FNO4
MW 339.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 53.95 nM 7.27 PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... -

Data from ChEMBL 36 via Core Engine