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Compound Detail

CHEMBL4214829

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CCCCC/C=C\[C@@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214829
Phase Preclinical
Structure Type MOL
InChI Key PDGRTYPSRMWVBI-ZVXPYYFFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.6
MW (Da)
5.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H41NO2
MW 375.60
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
30196704 10.1021/acs.jmedchem.8b00611 Cannabinoid receptor 1 2
30196704 10.1021/acs.jmedchem.8b00611 Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine