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Compound Detail

CHEMBL3986311

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CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(O)cc21

Basic Information

ChEMBL ID CHEMBL3986311
Phase Preclinical
Structure Type MOL
InChI Key MDXHTLBJLOYLRK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.53
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO2
MW 343.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3037
Ki 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 1280.0 nM 5.89 Competition Receptor Binding Assay: Competition receptor binding was performed a... -

Data from ChEMBL 36 via Core Engine