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Ligand

NameCEP-11981
Molecular formulaC28H27N7O
IUPAC name19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
Molecular weight477.572
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsUNII-J8AY0Z4CBP
4H-Indazolo(5,4-a)pyrrolo(3,4-C)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-
D0FD6D
BDBM50379186
J8AY0Z4CBP
[ Show all ]
Inchi KeyAEULIVPVIDOLIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
PubChem CID11751922
ChEMBLCHEMBL2010872
IUPHARN/A
BindingDB50379186
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3850Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441860Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
3851Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
3848Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
3846Substance-K receptorP21452TACR2Homo sapiens (Human)398
3849Substance-P receptorP25103TACR1Homo sapiens (Human)407
3847Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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