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Compound Detail

CHEMBL4473695

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CCOC(=O)/C=C/c1c(O)c(O)cc(N)c1SC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473695
Phase Preclinical
Structure Type MOL
InChI Key LQZZTDOBHZBKNU-SNAWJCMRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.98
ALogP
6
HBA
3
HBD
92.8
PSA (Ų)
0.19
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 C12H15NO4S
MW 269.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.52

Activity Summary

Kd 2 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Connector enhancer of kinase suppressor of ras 1
CHEMBL4296242
 Kd 4.72 4.72 19200.0 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 = 19200.0 nM 4.72 Binding affinity to CNKSR1 PH-domain (unknown origin) by SPR spectroscopy -

Data from ChEMBL 36 via Core Engine