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Compound Detail

CHEMBL1354193

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CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1354193
Phase Preclinical
Structure Type MOL
InChI Key SGDCQLOWOTYOIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
4.68
ALogP
6
HBA
0
HBD
49.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4OS2
MW 410.57
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.36

Activity Summary

EC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.75 6.75 176.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 176.0 nM 6.75 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... -

Data from ChEMBL 36 via Core Engine