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Ligand

NameCHEMBL2016619
Molecular formulaC50H62Cl2N10O2
IUPAC nameN,N'-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecanediamide
Molecular weight906.014
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP10.1
SynonymsBDBM50380570
Inchi KeyACYRRFBCTGQMNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H62Cl2N10O2/c1-57-27-31-59(32-28-57)49-39-17-13-15-19-43(39)61(45-25-23-37(51)35-41(45)53-49)55-47(63)21-11-9-7-5-3-4-6-8-10-12-22-48(64)56-62-44-20-16-14-18-40(44)50(60-33-29-58(2)30-34-60)54-42-36-38(52)24-26-46(42)62/h13-20,23-26,35-36H,3-12,21-22,27-34H2,1-2H3,(H,55,63)(H,56,64)
PubChem CID57325596
ChEMBLCHEMBL2016619
IUPHARN/A
BindingDB50380570
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
2035D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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