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Ligand

NameMLS000086795
Molecular formulaC24H28ClN5O4
IUPAC nameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
Molecular weight485.969
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.0
SynonymsF6548-1185
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxamide
AKOS001758824
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
cid_3235755
[ Show all ]
Inchi KeyACVZMBHNSYAYKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28ClN5O4/c1-34-14-13-30-23(32)20-6-5-17(15-21(20)27-24(30)33)22(31)26-7-8-28-9-11-29(12-10-28)19-4-2-3-18(25)16-19/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,27,33)
PubChem CID3235755
ChEMBLN/A
IUPHARN/A
BindingDB30840
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
19825-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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