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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 M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

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	1-(4-Fluoro-benzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-imidazo[2,1-a]isoindol-5-one AB00106294-01 HMS2800F10 SMR000427625 VU0352221-3 1-(4-fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one AKOS016340004 MCULE-6596610047 3M-501S Oprea1_169815 STK837602 1-(4-fluorobenzoyl)-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one AC1NQ3O1 HMS576F09 1-[(4-fluorophenyl)carbonyl]-9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one BDBM50445225 MLS001049253 SCHEMBL1247416 VU0352221-2 1-(4-fluorobenzoyl)-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindol-5-one AKOS001026583 KS-0000365U 327979-63-5 Bionet1_002747 MolPort-002-563-236 [ 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
Activity	41.0 %	PMID24164599	ChEMBL
IC50	3490.0 nM	PMID24164599	ChEMBL

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