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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	carbachol
Molecular formula	C6H15ClN2O2
IUPAC name	2-carbamoyloxyethyl(trimethyl)azanium;chloride
Molecular weight	182.648
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	AN-41622 Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1) Carbachol (JAN/USP/INN) HMS2236L04 Carbachol,(S) Isopto Carbachol Carbacholum chloratum Lentine Carbaminocholine chloride Mistura C Carbamylcholine chloride (2-Hydroxyethyl)trimethyl ammonium chloride carbamate CAS-51-83-2 2-(trimethylamino)ethyl aminooate, chloride Choline chloride, carbamate 31325-EP2277875A2 Coletyl 31325-EP2311817A1 DSSTox_CID_2730 NCGC00093705-02 NSC-32865 SBB057998 ST51007309 WLN: ZVO2K1&1&1 &Q &G DTXSID9022730 C-1770 gamma-Carbamoyl choline chloride Carbachol [INN:BAN:JAN] HMS3714P21 Carbacholine chloride Karbachol [Czech] Carbacol [INN-Spanish] LS-53194 Carbamoylcholine (chloride) Carbochol .gamma.-Carbamoyl choline chloride CHEBI:3385 2-carbamoyloxyethyl(trimethyl)ammonium chloride Choline, carbamate 31325-EP2299326A1 A828807 MLS002153502 NCGC00093705-05 NSC755919 SPECTRUM1500158 Tox21_112029 AKOS015909565 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1) Carbach HMS2091O17 Carbachol, Pharmaceutical Secondary Standard; Certified Reference Material HY-B1208 Carbacholinum KB-48668 Carbacolo [DCIT] Miostat Carbamoylcholine chloride, >=98% (titration), crystalline (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol) Carbyl 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride Choline carbamate chloride 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride Choline, chloride, carbamate 31325-EP2308858A1 Doryl (pharmaceutical) NCGC00015237-07 NE31544 Prestwick_1036 SR-01000075312-3 UNII-8Y164V895Y DSSTox_GSID_22730 B7196 EU-0100243 CARBACHOL CHLORIDE HMS3260B08 Carbacholin Jestryl Carbacholum [INN-Latin] Lentine [French] Carbaminoylcholine chloride Carbamylcholine chloride, 99% (2-Hydroxyethyl)trimethylammonium chloride carbamate CB 2-(trimethylazaniumyl)ethyl carbamate chloride Choline chloride, carbamoyl- 31325-EP2284157A1 CS-4836 51-83-2 NCGC00093705-03 NSC-755919 SCHEMBL2791 SW197107-3 Z1551429748 EINECS 200-127-3 C0596 HMS1570P21 Carbachol [USP:INN:BAN:JAN] HMS502E07 Carbacholini chloridum Karbamoylcholin chlorid Carbacolina MCULE-9644162883 Carbamoylcholine chloride Carbocholin 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride 2-carbamoyloxyethyl(trimethyl)azanium chloride Choline, carbamate, hydrochloride 31325-EP2305652A2 DB00411 AC1L1L8K MolPort-003-666-136 NCGC00163219-01 P. V. Carbachol SR-01000075312 Tox21_112029_1 AKOS025149486 Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride HMS2097P21 Carbachol, United States Pharmacopeia (USP) Reference Standard I14-31868 Carbacholum Lentin Carbamic acid, ester with choline chloride Miostat (TN) Carbamoylcholine-hydrochloride (2-Carbamoyloxyethyl)trimethylammonium chloride Carcholin 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride Choline chloride carbamate 31325-EP2274983A1 Choline, chloride, carbamate, hydrochloride 31325-EP2311816A1 Doryl (VAN) NCGC00093705-01 NSC 32865 Rilentol SR-01000075312-6 Vasoperif DSSTox_RID_76703 C 4382 FT-0623453 Carbachol hydrochloride HMS3372G03 Carbacholine Karbachol Carbacol LP00243 Carbamiotin Carbastat intraocular CCG-38913 2-aminocarbonyloxyethyl(trimethyl)azanium chloride Choline chlorine carbamate 31325-EP2289483A1 D00524 8Y164V895Y NCGC00093705-04 NSC32865 SMR000058584 TL 457 Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride C6H15N2O2.Cl HMS1920I15 Carbachol, European Pharmacopoeia (EP) Reference Standard HSDB 6373 Carbacholinium chloratum Karbamoylcholin chlorid [Czech] Carbacolo MFCD00012011 Carbamoylcholine chloride, 99% Carbocholine 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride CHEMBL14 2-carbamoyloxyethyl(trimethyl)azanium;chloride Choline, chloride carbamate(ester) 31325-EP2305672A1 Doryl AC1LAVH8 Moryl NCGC00260928-01 Pharmakon1600-01500158 SR-01000075312-1 Tox21_500243 [ Show all ]
Inchi Key	AIXAANGOTKPUOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
PubChem CID	5831
ChEMBL	CHEMBL14
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00411
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	530.0 nM	PMID7990109	ChEMBL
EC50	650.0 nM	PMID9622546	ChEMBL
IC50	23.0 nM	PMID1613751	ChEMBL
IC50	1380.0 nM	PMID1613751	ChEMBL
IC50	11850.0 nM	PMID1732522	ChEMBL
IC50	44370.0 nM	Bioorg. Med. Chem. Lett., (1991) 1:3:147	ChEMBL
Inhibition	5.0 %	PMID9622546	ChEMBL
K app	45.0 uM	PMID3585909	ChEMBL
Ki	31.0 nM	PMID9622546	ChEMBL
Ki	640.0 nM	PMID7990109	ChEMBL
Ki	5000.0 nM	PMID9622546	ChEMBL
Ki	5800.0 nM	PMID8246221	ChEMBL
pD2	6.0 -	PMID1732522	ChEMBL
pD2	7.2 -	PMID1732522	ChEMBL
Ratio	1.8 -	PMID2258905	ChEMBL
Ratio	4.5 -	PMID2258905	ChEMBL
Ratio	718.0 -	PMID1732522	ChEMBL

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