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Compound Detail

CHEMBL1331384

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CC(=O)c1cccc(CN2CCCC(CCC(=O)NCc3ccc(F)c(F)c3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1331384
Phase Preclinical
Structure Type MOL
InChI Key SFAUYIPRFSNCEF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.48
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28F2N2O2
MW 414.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.69

Activity Summary

EC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.16 7.16 69.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 70.0 nM 7.16 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -
Unchecked EC50 = 69.0 nM 7.16 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... -

Data from ChEMBL 36 via Core Engine