General Information of the Compound
Compound ID
CP0360437
Compound Name
3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-carbonitrile
    Show/Hide
Structure
Formula
C17H19N3
Molecular Weight
265.36
Canonical SMILES
CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
    Show/Hide
InChI
InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
    Show/Hide
InChIKey
RSNYUBDIPFPZKJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.53708
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
42.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 15290836
SID: 26733814
ChEMBL ID
CHEMBL390432
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 97 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 57 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 0.34 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.6 nM
   TI
   LI
   LO
   TS