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Ligand

NameCID 124221651
Molecular formulaC62H58F3N7O12S2
IUPAC name4-[4-[1-[4-[1-[6-[[4-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-3-carboxybenzoyl]amino]hexyl]triazol-4-yl]butyl]piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Molecular weight1214.3
Hydrogen bond acceptor20
Hydrogen bond donor7
XlogP6.5
SynonymsN/A
Inchi KeyFMXSYRBHGUMFBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)
PubChem CID124221651
ChEMBLN/A
IUPHAR9470
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553675P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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