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Compound Detail

CHEMBL1873104

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Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1873104
Phase Preclinical
Structure Type MOL
InChI Key WKDWBHSVCCUSLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.0
MW (Da)
5.15
ALogP
6
HBA
0
HBD
83.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19ClN4O3S
MW 490.97
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.39

Activity Summary

IC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein phosphatase 3
CHEMBL2635
 IC50 4.24 4.24 58200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein phosphatase 3 IC50 = 58200.0 nM 4.24 PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... -

Data from ChEMBL 36 via Core Engine