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Compound Detail

CHEMBL1314621

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Fc1ccc(CCNCc2ccc(Cl)c(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1314621
Phase Preclinical
Structure Type MOL
InChI Key RVCJUDCCAQKFOQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
4.46
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14Cl2FN
MW 298.19
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.04 6.04 915.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 915.0 nM 6.04 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... -

Data from ChEMBL 36 via Core Engine