Drug Information

General Information
Drug ID
DR01350
Drug Name
Flesinoxan
Synonyms
Flesinoxan hydrochloride; DU-29373
Drug Type
Small molecular drug
Indication Anxiety disorder [ICD11:6B00] Discontinued in Phase 3 [1]
Structure
3D MOL 2D MOL
Formula
C22H26FN3O4
Canonical SMILES
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C3=C4C(=CC=C3)OC(CO4)CO
InChI
InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
InChIKey
NYSDRDDQELAVKP-SFHVURJKSA-N
CAS Number
CAS 98206-10-1
Pharmaceutical Properties Molecular Weight 415.5 Topological Polar Surface Area 74.3
Heavy Atom Count 30 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
XLogP
2
PubChem CID
57347
PubChem SID
8185186 ,17396739 ,43115052 ,47657096 ,47954456 ,49876457 ,57313895 ,79318005 ,104312426 ,126683320 ,134224050 ,135016084 ,135650267 ,136255602 ,137249311 ,140448268 ,160682603 ,184545954 ,198948621 ,223686517 ,225051476 ,225146319 ,226573600
TTD Drug ID
D02VZP
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001126)
2 Active efflux of the 5-HT(1A) receptor agonist flesinoxan via P-glycoprotein at the blood-brain barrier. Eur J Pharm Sci. 2001 Aug;14(1):81-6.

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