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Compound Detail

CHEMBL1401325

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CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1401325
Phase Preclinical
Structure Type MOL
InChI Key DHRPCMQEZWAIGH-UHFFFAOYSA-N
Parent Compound CHEMBL1619458
Active Moiety CHEMBL1619458
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.09
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.83
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 C19H23ClN2O3S
MW 394.92
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.71

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 6.96 109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 109.0 nM 6.96 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine