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Compound Detail

CHEMBL1427040

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CN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1427040
Phase Preclinical
Structure Type MOL
InChI Key KMSHQDCMXTVGLD-UHFFFAOYSA-N
Parent Compound CHEMBL1433324
Active Moiety CHEMBL1433324
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.9
MW (Da)
4.21
ALogP
2
HBA
0
HBD
23.6
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 C23H27ClN2O5
MW 446.93
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.95

Activity Summary

EC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 110.0 nM 6.96 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine