General Information of the Compound
Compound ID
CP0078778
Compound Name
4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one
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Synonyms
4-[2-(Dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one
4-[2-(Dipropylamino)ethyl]indoline-2-one
4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one
4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
Adartrel (TN)
ReQuip CR
ReQuip XL
Requip (TN)
Ropark (TN)
Ropinirol
Ropinirol[INN-Spanish]
Ropinirole
Ropinirole (INN)
Ropinirole [INN:BAN]
Ropinirolum
Ropinirolum [INN-Latin]
Ropitor
Ropitor (TN)
SK&F 101468
SK&F-101,468
SKF 101468
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Structure
Formula
C16H24N2O
Molecular Weight
260.381
Canonical SMILES
CCCN(CCC)CCc1cccc2NC(=O)Cc12
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InChI
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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InChIKey
UHSKFQJFRQCDBE-UHFFFAOYSA-N
CAS
91374-21-9
Physicochemical Property
logP
2.8457
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 5095
SID: 15221518
ChEMBL ID
CHEMBL589
DrugBank ID
DB00268
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 141.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 6.457 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  3
1
EC50 = 30 nM
   TI
   LI
   LO
   TS
2
EC50 = 89 nM
   TI
   LI
   LO
   TS
3
EC50 = 330 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 89 nM
   TI
   LI
   LO
   TS
2
EC50 = 330 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 304 nM
   TI
   LI
   LO
   TS
2
Ki = 691.83 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3.7 nM
2 Ki = 7.2 nM
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
EC50 = 75.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 1803 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2674 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 4 nM
   TI
   LI
   LO
   TS
2
EC50 = 10.3 nM
   TI
   LI
   LO
   TS
3
Ki = 36.31 nM
   TI
   LI
   LO
   TS
CL000367 AtT-20 Mus musculus (Mouse)  1
1
EC50 = 19.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.9 nM
2 Ki = 19 nM
3 Ki = 61 nM
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 107 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 29.3 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ropinirole )
Drug Name Ropinirole
Company GlaxoSmithKline plc
Indication
Parkinson disease
Approved
Target(s)
Dopamine D3 receptor (D3R)
Modulator
Dopamine D2 receptor (D2R)
Modulator