ORP-101

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SE6KE496VO

Structure
InChI Key LEQOVFCHMOTJKU-WJVXOHEGSA-N
Smile CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(OCCOc5ccc6c7c5O[C@@H]5[C@]78CCN(CC7CC7)[C@H](C6)[C@]86CC[C@@]5(OC)[C@@H]([C@](C)(O)C(C)(C)C)C6)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChI
InChI=1S/C60H84N2O8/c1-51(2,3)53(7,63)41-31-55-19-21-59(41,65-9)49-57(55)23-25-61(33-35-11-12-35)43(55)29-37-15-17-39(47(69-49)45(37)57)67-27-28-68-40-18-16-38-30-44-56-20-22-60(66-10,42(32-56)54(8,64)52(4,5)6)50-58(56,46(38)48(40)70-50)24-26-62(44)34-36-13-14-36/h15-18,35-36,41-44,49-50,63-64H,11-14,19-34H2,1-10H3/t41-,42-,43-,44-,49-,50-,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C60H84N2O8
Molecular Weight 961.34
AlogP 9.19
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 102.32
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 70.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 2 D043183 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594402
FDA SRS SE6KE496VO
PubChem 92042890
SureChEMBL SCHEMBL19231198
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