Structure

InChI Key WUXLCJZUUHIXFY-FFHNEAJVSA-N
Smile COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O=P(O)(O)O
InChI
InChI=1S/C18H21NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26NO8P
Molecular Weight 415.38
AlogP 1.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Opioid receptors; mu/kappa/delta agonist PubMed PubMed Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
Cough 1 D003371 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Cross References

Resources Reference
ChEMBL CHEMBL1201099
FDA SRS GSL05Y1MN6
PubChem 6321303
SureChEMBL SCHEMBL2515523