Details of the Drug

General Information of Drug (ID: DMV1408)

Drug Name
SU5403
Synonyms
189894-57-3; 1-((1S,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol methanesulfonate trihydrate; UNII-BD2A56I30W; BD2A56I30W; Traxoprodil mesylate, CP-101606-27; Traxoprodil mesylate [USAN:INN]; (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOL METHANESULFONATE TRIHYDRATE; Traxoprodil mesylate hydrate; CHEMBL3989673; KS-00000REE; MolPort-023-219-113; AKOS025396623; RL02411; DS-5988; BCP9000543
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 477.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C21H35NO9S
IUPAC Name
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol;methanesulfonic acid;trihydrate
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.O.O.O
InChI
InChI=1S/C20H25NO3.CH4O3S.3H2O/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);3*1H2/t15-,19+;;;;/m0..../s1
InChIKey
LUILKELNVBKKTG-ZOZJKLBQSA-N
Cross-matching ID
PubChem CID
9826324
CAS Number
189894-57-3
TTD ID
D06SKN
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
Fibroblast growth factor receptor (FGFR) TT0LF7H NOUNIPROTAC Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tumor angiogenesis as a therapeutic target. Drug Discov Today. 2001 Oct 1;6(19):1005-1024.