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Ligand

NameCHEMBL350090
Molecular formulaC24H19FN4O2S
IUPAC name5-fluoro-2-methyl-N-[4-(13-thia-3,4,9-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-9-carbonyl)phenyl]benzamide
Molecular weight446.5
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsN-[4-(4,5-Dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide
6-[4-(2-Methyl-5-fluorobenzoylamino)benzoyl]-2,4,5,6-tetrahydro-9-thia-1,2,6-triaza-9H-cyclopenta[e]azulene
SCHEMBL5235980
BDBM50087555
L015176
Inchi KeyAYVDKTHMYIIUDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19FN4O2S/c1-14-2-5-17(25)12-19(14)23(30)27-18-6-3-15(4-7-18)24(31)29-10-8-16-13-26-28-21(16)22-20(29)9-11-32-22/h2-7,9,11-13H,8,10H2,1H3,(H,26,28)(H,27,30)
PubChem CID19699097
ChEMBLCHEMBL350090
IUPHARN/A
BindingDB50087555
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17816Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
17817Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
17818Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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