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Compound Detail

CHEMBL1469184

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Cc1nc2ccc(S(=O)(=O)NC(C(=O)Nc3nc4ccc(Cl)cc4s3)C(C)C)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1469184
Phase Preclinical
Structure Type MOL
InChI Key BGDQXCGGTXBCBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.1
MW (Da)
4.81
ALogP
7
HBA
2
HBD
101.0
PSA (Ų)
0.40
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 C20H19ClN4O3S3
MW 495.05
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.25

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 55
CHEMBL1075322
 IC50 6.05 6.05 893.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 55 IC50 = 893.61 nM 6.05 PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... -

Data from ChEMBL 36 via Core Engine