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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

Ligand

Name	Aripiprazole
Molecular formula	C23H27Cl2N3O2
IUPAC name	7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular weight	448.388
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	OPC 31 S-4507 SCHEMBL8255 TL8000707 NCGC00159510-02 Aripiprazole (JAN/USAN/INN) Aripiprazole/escitalopram fixed-dose combination 24-29-3 BBL029082 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone Bristol-Myers Squibb brand of aripiprazole 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril D0Y2GK AB0008434 DSSTox_RID_81324 Abilify Digital HMS2089M20 AC1L1TXZ HY-14546 ALKS-9072 MCULE-4329329262 NCGC00159510-05 Otsuka brand of aripiprazole SAM001246750 SR-01000759353-4 Tox21_111728_1 MLS001195621 Aripiprazole Depot Aripiprex 4811-EP2272841A1 BCP9000317 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE CA0141 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one CS-0766 7-{4-[4-(2,3-dichlorophenyl)piperazino]butoxy}-3,4-dihydro-2(1H)-quinolinone Discmelt AB00639935_11 FC0025 Abilify Maintena Kit HMS3373D04 ACT03221 KB-47438 AN-902 Opc 14597 PubChem18143 SCHEMBL12961254 STK625160 ZINC1851149 MolPort-002-885-808 Aripiprazole [USAN:INN:BAN] 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro- Arpizol 4811-EP2301936A1 BR-46736 7-[4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone CEUORZQYGODEFX-UHFFFAOYSA-N 7-{4-[-4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril D0H3HM 9SC DSSTox_CID_26083 Abilify GTPL34 Abilitat HMS3715J07 AKOS005558247 L001339 OPC-14597 S06-0010 SMR000466383 TL80090184 NCGC00159510-03 Aripiprazole 1.0 mg/ml in Acetonitrile Aripiprazole; BC208491 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril C12564 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril; 7-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one CHEMBL1112 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one AB00639935-09 DTXSID3046083 Abilify Discmelt HMS2093F22 AC1Q3T38 J-005707 ALKS9070/ALKS9072 MLS000759517 NSC-759266 Pharmakon1600-01505851 SBI-0206870.P001 SR-01000759353-6 UNII-82VFR53I78 MLS001424078 Aripiprazole solution, 1.0 mg/mL (50:50 Methanol/Water with 1% 1N HCl), ampule of 1 mL, certified reference material Aripirazole 4811-EP2298731A1 BDBM50130293 7-(4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy)-3,4-dihydrocarbostyril CAS-129722-12-9 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-quinolin-2(1H)-one CTK0H5518 722A129 Discmelt (TN) AB07660 FT-0082572 Abilify MyCite HMS3393I18 AJ-32089 KS-00000XK7 AOB5922 OPC 14597; OPC 31 RTR-004086 SCHEMBL5335696 SW197521-3 NC00141 Aripiprazole (Abilify) Aripiprazole [USAN] 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro- Asprito BRD-K70358946-001-06-6 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone CHEBI:31236 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3, 4-dihydrocarbostyril D0P8CI A19454 DSSTox_GSID_46083 Abilify (TN) HMS2051I18 AC-1554 HSDB 7320 ALKS-9070 LS-142666 NCGC00159510-04 OPC-31 s1975 SR-01000759353 Tox21_111728 Aripiprazole D8 aripiprazolum 4811-EP2269990A1 BCP04902 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone C23H27Cl2N3O2 7-[4-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Butoxy]3,4-Dihydro-2(1H)-Quinolinone CPD000466383 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one DB01238 AB00639935_10 EBD20357 Abilify Maintena HMS2230M18 ACMC-20emtv J10066 AM20090766 MLS001165779 NSC759266 Pripiprazole SC-16317 ST2412627 Z1541632800 MLS006011892 Aripiprazole solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material 129722-12-9 Aristada (aripiprazole lauroxil) 4811-EP2298776A1 BMS-337039 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one CCG-100891 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one D01164 82VFR53I78 DL-178 AB1006698 FT-0600352 Abilify OD HMS3657K13 AK-46736 KS-1030 aripiprazol [ Show all ]
Inchi Key	CEUORZQYGODEFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
PubChem CID	60795
ChEMBL	CHEMBL1112
IUPHAR	34
BindingDB	50130293
DrugBank	DB01238
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	37.0 nM	PMID12629531	PDSP,BindingDB
Ki	37.9 nM	PMID12784105	PDSP,BindingDB
Ki	38.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	100.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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