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Compound Detail

CHEMBL3916546

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O=C(c1cccc2ccccc12)c1cn(CCCCO)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3916546
Phase Preclinical
Structure Type MOL
InChI Key FIBVDFAPDNJBNI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.80
ALogP
3
HBA
1
HBD
42.2
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 C23H21NO2
MW 343.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.76

Activity Summary

Ki 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3037
Ki 6.65 6.65 224.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 224.2 nM 6.65 Competition Receptor Binding Assay: Competition receptor binding was performed a... -

Data from ChEMBL 36 via Core Engine