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Ligand

NameCHEMBL3946745
Molecular formulaC27H31N5
IUPAC name(8S)-N-(piperidin-3-ylmethyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
Molecular weight425.58
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM221824
SCHEMBL13512573
US9314468, Table 7, Compound 111
Inchi KeyANUKPGQDPSEJQB-BIAFCPFJSA-N
Inchi IDInChI=1S/C27H31N5/c1-2-10-23-21(9-1)22-12-15-29-24(27(22)31-23)18-32(17-19-6-4-13-28-16-19)25-11-3-7-20-8-5-14-30-26(20)25/h1-2,5,8-10,12,14-15,19,25,28,31H,3-4,6-7,11,13,16-18H2/t19?,25-/m0/s1
PubChem CID70924216
ChEMBLCHEMBL3946745
IUPHARN/A
BindingDB221824
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536245C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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