TRADIPITANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NY0COC51FI

Structure
InChI Key CAVRKWRKTNINFF-UHFFFAOYSA-N
Smile O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1
InChI
InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H16ClF6N5O
Molecular Weight 587.91
AlogP 7.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 73.56
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Motion Sickness 3 D009041 ClinicalTrials
Gastroparesis 3 D018589 ClinicalTrials
Dermatitis, Atopic 3 D003876 ClinicalTrials
Phobia, Social 2 D000072861 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Pruritus 1 D011537 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 622370-35-8
ChEMBL CHEMBL3544984
DrugBank DB12580
FDA SRS NY0COC51FI
Guide to Pharmacology 9278
PubChem 9916461
SureChEMBL SCHEMBL2898629
ZINC ZINC000043194077
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