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]
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
CHEMBL94467
CAS Number
86939-10-8
TTD ID
D08NZE
VARIDT ID
DR00934
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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]
Molecular Interaction Atlas (MIA) 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) 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.