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Compound Detail

CHEMBL423602

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423602
Phase Preclinical
Structure Type MOL
InChI Key APMHRGDNLGREMG-AILJCPQKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.6
MW (Da)
7.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H43NO
MW 373.63
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.50

Activity Summary

Ki 1 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
 Ki 8.14 8.14 7.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 7.2 nM 8.14 In vitro binding affinity was determined against rat brain Cannabinoid receptor ... 9057852

Literature References

PubMed DOI Target Context # Activities
9057852 10.1021/jm960752x Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine