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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.