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Compound Detail

CHEMBL1427913

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CCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1

Basic Information

ChEMBL ID CHEMBL1427913
Phase Preclinical
Structure Type MOL
InChI Key UGCOQLKJLIKWCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
4.48
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14Cl2N2O3S
MW 361.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... -

Data from ChEMBL 36 via Core Engine