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Compound Detail

CHEMBL4467161

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CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)c1cnn(-c3ccc(Cl)cc3Cl)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467161
Phase Preclinical
Structure Type MOL
InChI Key PGKYEQZIXWHHOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

577.6
MW (Da)
10.30
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H38Cl2N2O2
MW 577.60
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
27309150 10.1021/acs.jmedchem.6b00397 Cannabinoid receptor 1 1
27309150 10.1021/acs.jmedchem.6b00397 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine