Details of the Drug

General Information of Drug (ID: DMCM5GK)

Drug Name

TAK-070

Synonyms

UNII-PNM9E64544; PNM9E64544; TAK-070; (2R)-N,N-Dimethyl-6-(4-biphenylylmethoxy)-1,2,3,4-tetrahydronaphthalene-2alpha-ethanamine; TAK-070 free base; N,N-dimethyl-2-[(2R)-6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine; N,N-Dimethyl-2-((2R)-6-((4-phenylphenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine; SCHEMBL361018; GTPL6940; 212571-56-7; J3.229.705F; 2-((2R)-6-(4-Biphenylylmethoxy)-1,2,3,4-tetrahydro-2-naphthalenyl)-N,N-dimethylethanamine; 2-Naphthaleneethanamine, 6-((1,1'-biphenyl)-

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Clinical trial	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

440

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C27H34ClNO2
IUPAC Name: N,N-dimethyl-2-[(2R)-6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrate;hydrochloride
Canonical SMILES: CN(C)CC[C@@H]1CCC2=C(C1)C=CC(=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4.O.Cl
InChI: InChI=1S/C27H31NO.ClH.H2O/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23;;/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3;1H;1H2/t21-;;/m0../s1
InChIKey: VBMPTAUGUUBFJK-FGJQBABTSA-N

Cross-matching ID

PubChem CID: 23519711
CAS Number: 365276-12-6
TTD ID: D0Q6NN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-secretase (BACE)	TT8JRS7	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Beta-secretase (BACE)	DTT	NO-GeName	6.98E-04	1.03	2.84

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	A noncompetitive BACE1 inhibitor TAK-070 ameliorates Abeta pathology and behavioral deficits in a mouse model of Alzheimer's disease. J Neurosci. 2010 Aug 18;30(33):11157-66.