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Compound Detail

CHEMBL4555137

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

Basic Information

ChEMBL ID CHEMBL4555137
Phase Preclinical
Structure Type MOL
InChI Key MPWLJSNQLXNSIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

545.5
MW (Da)
8.48
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38Cl2N2O3
MW 545.55
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.13

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