AXELOPRAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 85U7ROB149

Structure
InChI Key ATLYLVPZNWDJBW-KIHHCIJBSA-N
Smile NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1
InChI
InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H39N3O4
Molecular Weight 457.62
AlogP 2.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 107.1
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist PubMed Other Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 2 D003248 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137313
DrugBank DB12013
FDA SRS 85U7ROB149
SureChEMBL SCHEMBL1773803
CONTENTS