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Compound Detail

CHEMBL1324221

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C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(C)c(C)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1324221
Phase Preclinical
Structure Type MOL
InChI Key FUZIWPKANNHWFY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
3.15
ALogP
8
HBA
2
HBD
107.1
PSA (Ų)
0.34
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 C18H18N4O3S3
MW 434.57
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.96

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 5.1 5.1 7930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 7930.0 nM 5.1 PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... -

Data from ChEMBL 36 via Core Engine