NOLPITANTIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NR72W2V70N

Structure
InChI Key RPDFDSQFBCJTDY-GAQXSTBRSA-N
Smile CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1
InChI
InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H45Cl2N2O2+
Molecular Weight 620.69
AlogP 8.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1178725
EPA CompTox DTXSID10165896
FDA SRS NR72W2V70N
Guide to Pharmacology 2107
PubChem 108167
SureChEMBL SCHEMBL2142512
ZINC ZINC000003922699
CONTENTS