Details of the Drug

General Information of Drug (ID: DMSO3HM)

Drug Name

PDGF gene therapy

Synonyms

UNII-54FF09J702; 54FF09J702; Ancriviroc besylate; SCH-351125 Besylate; 565428-86-6; (1,4'-Bipiperidine)-4-methanimine, alpha-(4-bromophenyl)-1'-((2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl)-N-ethoxy-4'-methyl-, (alphaZ)-, benzenesulfonate

Indication

Disease Entry	ICD 11	Status	REF
Diabetic foot ulcer	BD54	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

715.7

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C34H43BrN4O6S
IUPAC Name: benzenesulfonic acid;[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Canonical SMILES: CCO/N=C(/C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)\\C4=CC=C(C=C4)Br.C1=CC=C(C=C1)S(=O)(=O)O
InChI: InChI=1S/C28H37BrN4O3.C6H6O3S/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3;7-10(8,9)6-4-2-1-3-5-6/h6-10,17,23H,5,11-16,18-19H2,1-4H3;1-5H,(H,7,8,9)/b30-26+;
InChIKey: RVIRPEALZXBUMV-REAKUJNMSA-N

Cross-matching ID

PubChem CID: 9875058
CAS Number: 565428-86-6
TTD ID: D08NYO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor (PDGFR)	TTI2WET	NOUNIPROTAC	Activator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs for diabetic foot ulcers. Expert Opin Emerg Drugs. 2006 Nov;11(4):709-24.