Details of the Drug

General Information of Drug (ID: DMRPFCS)

Drug Name

TEFLUDAZINE

Synonyms

Tefludazine; Tefludazine [INN]; Tefludazinum [Latin]; Tefludazina [Spanish]; Lu 18-012; CHEMBL95636; trans-4-[3-(p-fluorophenyl)-6-(trifluoromethyl)-1-indanyl]-1-piperazineethanol; 2-(4-(trans-3-(4-Fluorphenyl-6-trifluormethyl-1-indanyl)-1-piperazinyl)ethanol; 80273-79-6; Tefludazinum; Tefludazina; trans-4-(3-(p-Fluorophenyl)-6-(trifluoromethyl)-1-indanyl)-1-piperazineethanol; 1-Piperazineethanol, 4-(3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-indel-1-yl)-, trans-(+-)-; (1R,3S)-Tefludazine; AC1L2FT8; AC1Q4JR0

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): 0

Molecular Weight (mw)

408.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C22H24F4N2O
IUPAC Name: 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
Canonical SMILES: C1CN(CCN1CCO)[C@@H]2C[C@H](C3=C2C=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1
InChIKey: JSBWGXQXCRYYTG-PZJWPPBQSA-N