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Compound Detail

CHEMBL3937621

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O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)c1cccs1

Basic Information

ChEMBL ID CHEMBL3937621
Phase Preclinical
Structure Type MOL
InChI Key VZWMBDKHGZWTBJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
5.36
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10Cl2O3S
MW 365.24
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.60

Activity Summary

Ki 1 meas. best 8.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
Ki 8.76 8.76 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 1.75 nM 8.76 CB2 Receptor Binding Protocol: 15.3 ug of membranes (20 ul of 1:20 dilution in i... -

Data from ChEMBL 36 via Core Engine