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Compound Detail

CHEMBL1699187

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NC(=S)NN=Cc1nccc2ccccc12

Basic Information

ChEMBL ID CHEMBL1699187
Phase Preclinical
Structure Type MOL
InChI Key FQWITMQQUMTMRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
1.40
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.46
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 C11H10N4S
MW 230.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 6.36 6.36 434.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nuclear receptor coactivator 3 IC50 = 434.07 nM 6.36 PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... -

Data from ChEMBL 36 via Core Engine