Details of the Drug

General Information of Drug (ID: DM1ZQEN)

Drug Name
TRAXOPRODIL MESYLATE
Synonyms (S,S)-1-(4-Hydroxyphenyl)-2-[4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol methanesulfonate trihydrate
Indication
Disease Entry ICD 11 Status REF
Neurological disorder 6B60 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 423.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C21H29NO6S
IUPAC Name
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol;methanesulfonic acid
Canonical SMILES
C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O.CS(=O)(=O)O
InChI
InChI=1S/C20H25NO3.CH4O3S/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4)/t15-,19+;/m0./s1
InChIKey
OZBWUANKVIMZIA-WRRDZZDISA-N
Cross-matching ID
PubChem CID
9802399
CAS Number
188591-67-5
TTD ID
D00YLM
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00163059) The Antidepressant Effects Of The NMDA Antagonist, CP-101,606, In Patients With MDD. U.S. National Institutes of Health.
2 The effect of the selective NMDA receptor antagonist traxoprodil in the treatment of traumatic brain injury. J Neurotrauma. 2005 Dec;22(12):1428-43.