General Information of the Compound
Compound ID
CP0042255
Compound Name
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
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Synonyms
(+)-Indatraline
(+-)-trans-3-(3,4-Dichlorophenyl)-N-methyl-1-indanamine
(-)-trans-3-(3,4-dichlorophenyl)-n-methyl-1-indanamine
3-(3,4-Dichlorophenyl)-N-methyl-1-indanamine hcl
86939-10-8
97229-15-7
AC1L2Q22
AC1Q3O5Q
API0009127
BDBM50095618
CCG-204769
CHEBI:94467
CHEMBL341898
DTXSID4043981
Indatraline
Indatraline [INN]
Indatralinum
Lopac-I-119
Lopac0_000684
Lu 19005
Lu-19-005
NCGC00015532-01
NCGC00025223-02
NCGC00025223-03
NCGC00025223-04
PDSP1_001502
PDSP2_001486
SCHEMBL9252640
UNII-4U40Y96J1Z c
ZINC3872906
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Structure
Formula
C16H15Cl2N
Molecular Weight
292.209
Canonical SMILES
CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
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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
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InChIKey
SVFXPTLYMIXFRX-XJKSGUPXSA-N
CAS
97229-15-7
86939-10-8
Physicochemical Property
logP
4.7895
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 126280
SID: 57306016
ChEMBL ID
CHEMBL341898
DrugBank ID
DB17032
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Indatraline )
Drug Name Indatraline
Target(s)
Dopamine transporter (DAT)
 Target Info 
Inhibitor