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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

Ligand

Name	CHEMBL1459098
Molecular formula	C23H17FN2O2
IUPAC name	1-(4-fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular weight	372.399
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	Bionet1_002747 MolPort-002-563-236 327979-63-5 AB00106294-01 HMS2800F10 SMR000427625 1-(4-Fluoro-benzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one AKOS016340004 MCULE-6596610047 VU0352221-3 1-(4-fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one 3M-501S Oprea1_169815 AC1NQ3O1 HMS576F09 STK837602 1-(4-fluorobenzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one BDBM50445225 MLS001049253 1-[(4-fluorophenyl)carbonyl]-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one SCHEMBL1247416 AKOS001026583 KS-0000365U VU0352221-2 1-(4-fluorobenzoyl)-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindol-5-one [ Show all ]
Inchi Key	CCNNNCNYEOXXMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H17FN2O2/c24-18-12-10-16(11-13-18)21(27)25-14-15-26-22(28)19-8-4-5-9-20(19)23(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2
PubChem CID	5189681
ChEMBL	CHEMBL1459098
IUPHAR	N/A
BindingDB	50445225
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<30000.0 nM	PMID24164599	ChEMBL

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