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Compound Detail

CHEMBL1178725

NOLPITANTIUM
🧪 Phase II
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🧪 Phase II
CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178725
Name NOLPITANTIUM
Phase Phase II
Structure Type MOL
InChI Key RPDFDSQFBCJTDY-GAQXSTBRSA-N

Known Names

Nolpitantium Nolpitantium cation Nolpitantium ion Sr-140333
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
4
Known Names
1
Indications

Molecular Properties

620.7
MW (Da)
8.23
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -ium

Extended Properties

Molecular Formula C37H45Cl2N2O2+
MW 620.69
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.56

Indications

Colitis, Ulcerative

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine