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Compound Detail

CHEMBL1422167

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COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1

Basic Information

ChEMBL ID CHEMBL1422167
Phase Preclinical
Structure Type MOL
InChI Key WGSDXPBLMFVOKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.9
MW (Da)
3.82
ALogP
7
HBA
0
HBD
69.9
PSA (Ų)
0.57
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 C16H19ClN4O2S
MW 366.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.39

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.96 4.96 10923.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 10923.0 nM 4.96 PubChem BioAssay. Dose response counterscreen for inhibitors of viability of lat... -

Data from ChEMBL 36 via Core Engine