Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NZW2BOW35N

Structure

InChI Key DWRIJNIPBUFCQS-DQEYMECFSA-N
Smile Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H35F7N4O3
Molecular Weight 668.65
AlogP 6.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 69.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 47.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Menopause 3 D008593 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4802157
FDA SRS NZW2BOW35N