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Compound Detail

CHEMBL1469670

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Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL1469670
Phase Preclinical
Structure Type MOL
InChI Key GGSCOGVZVMPTFS-LGMDPLHJSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
4.04
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O2S2
MW 388.56
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.84

Activity Summary

IC50 5 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.14 6.045 730.0 2
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.8 5.8 1583.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 5.47 5.47 3371.0 1
Tegument protein VP16
CHEMBL4218
IC50 5.27 5.27 5373.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine