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Compound Detail

CHEMBL3104355

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CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC(=O)O)cc1OC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104355
Phase Preclinical
Structure Type MOL
InChI Key OJEXEXIMQPBJQS-CHWSQXEVSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
7
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.63
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22O4
MW 302.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.13

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus
t1/2 - - Mus musculus
t1/2 - - Mus musculus

Literature References

PubMed DOI Target Context # Activities
24286207 10.1021/jm4016075 Plasma 2
24286207 10.1021/jm4016075 Cannabinoid receptor 2 2
25470070 10.1021/jm501165d Cannabinoid receptor 2 2
24286207 10.1021/jm4016075 Rattus norvegicus 1
24286207 10.1021/jm4016075 Cannabinoid receptor 1 1
25470070 10.1021/jm501165d Unchecked 1
25470070 10.1021/jm501165d Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine