Details of the Drug

General Information of Drug (ID: DMGEHZ9)

Drug Name

NNC-09-0026

Synonyms

Nnc 09-0026; Nnc-09-0026; 141360-03-4; AC1L30TY; 1-Butyl-4-(4-dimethylaminophenyl)-3-(4-trifluoromethylphenoxymethyl)piperidine dihydrochloride; SCHEMBL7413433; DTXSID90161699; 4-(1-Butyl-3-((4-(trifluoromethyl)phenoxy)methyl)-4-piperidinyl)-N,N-dimethylbenzenamine dihydrochloride, trans-(-)-; Benzenamine, 4-(1-butyl-3-((4-(trifluoromethyl)phenoxy)methyl)-4-piperidinyl)-N,N-dimethyl-, dihydrochloride, trans-(-)-; 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]-N,N-dimethylaniline dihydrochlo

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

507.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C25H35Cl2F3N2O
IUPAC Name: 4-[(3R,4S)-1-butyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-4-yl]-N,N-dimethylaniline;dihydrochloride
Canonical SMILES: CCCCN1CC[C@@H]([C@H](C1)COC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)N(C)C.Cl.Cl
InChI: InChI=1S/C25H33F3N2O.2ClH/c1-4-5-15-30-16-14-24(19-6-10-22(11-7-19)29(2)3)20(17-30)18-31-23-12-8-21(9-13-23)25(26,27)28;;/h6-13,20,24H,4-5,14-18H2,1-3H3;2*1H/t20-,24-;;/m1../s1
InChIKey: VAJHWBBBDAHYRE-OYNPXDHBSA-N

Cross-matching ID

PubChem CID: 132350
CAS Number: 141360-03-4
TTD ID: D0R3SI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003940)
2	Pharmacological profile of a novel neuronal calcium channel blocker includes reduced cerebral damage and neurological deficits in rat focal ischemia. Pharmacol Biochem Behav. 1994 May;48(1):77-85.