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Compound Detail

CHEMBL4473657

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CSc1sc(C#N)c(C)c1-c1ccn(S(=O)(=O)c2ccc(Cl)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473657
Phase Preclinical
Structure Type MOL
InChI Key FWUVABQYDLSIOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
4.40
ALogP
7
HBA
0
HBD
75.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3O2S3
MW 409.95
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.67

Activity Summary

Kd 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Connector enhancer of kinase suppressor of ras 1
CHEMBL4296242
 Kd 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Connector enhancer of kinase suppressor of ras 1 Kd = 700.0 nM 6.16 Binding affinity to CNKSR1 PH-domain (unknown origin) by SPR spectroscopy -

Data from ChEMBL 36 via Core Engine