OLORINAB

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Synonyms
Status
Molecule Category Free-form
UNII 581F7DFA9B

Structure

InChI Key ACSQLTBPYZSGBA-GMXVVIOVSA-N
Smiles CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21
InChI
InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N5O3
Molecular Weight 357.41
AlogP 0.7
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 106.98
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Cannabinoid CB2 receptor agonist AGONIST Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
6.2-7.6 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
6.2 - - - -
Rattus norvegicus
7.6 - - - -

Target Conservation

Protein: Cannabinoid CB2 receptor
Description: Cannabinoid receptor 2
Organism : Homo sapiens
P34972 ENSG00000188822

Cross References

Resources Reference
ChEMBL CHEMBL4175981
DrugBank DB14998
FDA SRS 581F7DFA9B
Guide to Pharmacology 10058
SureChEMBL SCHEMBL11995430
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