Details of the Drug

General Information of Drug (ID: DMCZ75T)

Drug Name

DRAFLAZINE

Synonyms

Draflazine < Rec INN; R-70380; R-75231; Rac-N-(4-Amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-2-carbamoylpiperazine-1-acetamide; Rac-2-(Aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-1-piperazineacetamide; Rac-4'-Amino-4-[5,5-bis(p-fluorophenyl)pentyl]-2-carbamoyl-2',6'-dichloro-1-piperazineacetanilide

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

604.5

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C30H33Cl2F2N5O2
IUPAC Name: 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
Canonical SMILES: C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl
InChI: InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)
InChIKey: IWMYIWLIESDFRZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 60849
CAS Number: 120770-34-5
TTD ID: D04NWP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nucleoside transporter (SLC)	TT5BN70	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4590).
2	Studies of the nucleoside transporter inhibitor, draflazine, in the human myocardium. Br J Pharmacol. 1994 May;112(1):137-42.