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Compound Detail

CHEMBL1341584

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CCCN1C(=O)/C(=C\C=C2\N(CC)c3ccccc3C2(C)C)SC1=S

Basic Information

ChEMBL ID CHEMBL1341584
Phase Preclinical
Structure Type MOL
InChI Key XHJPGKJKEHAANQ-MAEUFBSDSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.6
MW (Da)
4.84
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2OS2
MW 372.56
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

EC50 1 meas. best 5.1
IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
IC50 6.08 6.08 824.1 1
Unchecked
CHEMBL612545
EC50 5.1 5.1 7930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine