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Compound Detail

CHEMBL1406398

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Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccco2)N2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1406398
Phase Preclinical
Structure Type MOL
InChI Key WOQHDLROTFOYQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
3.62
ALogP
5
HBA
2
HBD
91.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H35N3O4S
MW 461.63
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
 IC50 5.51 5.51 3108.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nuclear receptor coactivator 3 IC50 = 3108.0 nM 5.51 PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... -

Data from ChEMBL 36 via Core Engine