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Ligand

NameCHEMBL1394899
Molecular formulaC24H37N3O4
IUPAC namemethyl (Z,5R,6S,7Z)-7-[(2S)-1-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-2-yl]oxyimino-6-methoxy-5-methylhept-3-enoate
Molecular weight431.577
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsNCGC00017733-01
Inchi KeyAIEBPYISGPAQIU-GVVBTTHSSA-N
Inchi IDInChI=1S/C24H37N3O4/c1-17(10-9-12-24(28)30-6)23(29-5)15-25-31-19(3)16-27-13-8-7-11-21-22(27)14-18(2)20(4)26-21/h9-10,14-15,17,19,23H,7-8,11-13,16H2,1-6H3/b10-9-,25-15-/t17-,19+,23-/m1/s1
PubChem CID16758508
ChEMBLCHEMBL1394899
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
6129Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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