Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PUO0LMS4NX

Structure

InChI Key DHAITNWJDOSRBU-RCSSWNHXSA-N
Smile O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5
InChI
InChI=1S/C28H28N2O5/c31-20-8-7-16-13-21-28(34)10-9-19(30-25(32)17-3-1-2-4-18(17)26(30)33)24-27(28,22(16)23(20)35-24)11-12-29(21)14-15-5-6-15/h1-4,7-8,15,19,21,24,31,34H,5-6,9-14H2/t19-,21?,24?,27+,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H28N2O5
Molecular Weight 472.54
AlogP 2.62
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 90.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Mu opioid receptor partial agonist PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545408
FDA SRS PUO0LMS4NX
PubChem 16066809