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Compound Detail

CHEMBL3397446

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COc1ccc(-c2cc(C)c(OC)c(C(=O)N[C@H]3CC[C@H](C)CC3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397446
Phase Preclinical
Structure Type MOL
InChI Key CDHDCBDWARTIEL-RHDGDCLCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.99
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO3
MW 367.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
25486424 10.1016/j.ejmech.2014.11.066 Cannabinoid receptor 1 1
25486424 10.1016/j.ejmech.2014.11.066 Cannabinoid receptor 2 1
25486424 10.1016/j.ejmech.2014.11.066 Unchecked 1

Data from ChEMBL 36 via Core Engine