Details of the Drug

General Information of Drug (ID: DMIP9DN)

Drug Name

Indatraline

Synonyms

Indatraline; Lu 19005; CHEMBL341898; 86939-10-8; Indatralinum; Indatraline [INN]; (+)-Indatraline; Lu-19-005; (-)-trans-3-(3,4-dichlorophenyl)-n-methyl-1-indanamine; Lopac-I-119; AC1Q3O5Q; Lopac0_000684; SCHEMBL9252640; AC1L2Q22; DTXSID4043981; CHEBI:94467; (+-)-trans-3-(3,4-Dichlorophenyl)-N-methyl-1-indanamine; ZINC3872906; BDBM50095618; PDSP2_001486; PDSP1_001502; CCG-204769; API0009127; NCGC00025223-04; NCGC00025223-03; NCGC00015532-01; NCGC00025223-02; 97229-15-7; 3-(3,4-Dichlorophenyl)-N-methyl-1-indanamine hcl; UNII-4U40Y96J1Z c

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)

292.2

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H15Cl2N
IUPAC Name: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
Canonical SMILES: CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m0/s1
InChIKey: SVFXPTLYMIXFRX-XJKSGUPXSA-N

Cross-matching ID

PubChem CID: 126280
ChEBI ID: CHEBI:94467
CAS Number: 86939-10-8
TTD ID: D08NZE
VARIDT ID: DR00934

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Ribosomal protein S6 kinase beta-1 (RPS6KB1)	OTAELNGX	KS6B1_HUMAN	Post-Translational Modifications	[2]
Sequestosome-1 (SQSTM1)	OTGY5D5J	SQSTM_HUMAN	Gene/Protein Processing	[2]
Serine/threonine-protein kinase mTOR (MTOR)	OTHH8KU7	MTOR_HUMAN	Post-Translational Modifications	[2]

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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

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Effects of indatraline and buprenorphine on self-administration of speedball combinations of cocaine and heroin by rhesus monkeys. Neuropsychopharmacology. 2001 Jul;25(1):104-17.
2	Antidepressant drug sertraline modulates AMPK-MTOR signaling-mediated autophagy via targeting mitochondrial VDAC1 protein. Autophagy. 2021 Oct;17(10):2783-2799. doi: 10.1080/15548627.2020.1841953. Epub 2020 Nov 9.