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Compound Detail

CHEMBL1477703

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COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1C

Basic Information

ChEMBL ID CHEMBL1477703
Phase Preclinical
Structure Type MOL
InChI Key CJSJRXHMLSWSKZ-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
1.26
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O3S
MW 290.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1
CHEMBL1795098
IC50 6.2 6.2 632.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine