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Ligand

NameCHEMBL291125
Molecular formulaC36H40N4O6S3
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-[[4-oxo-2-propyl-6-(thiophene-2-carbonylamino)quinazolin-3-yl]methyl]phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight720.918
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.7
SynonymsN-Butyloxycarbonyl-5-isobutyl-3-(4-{6-[(thiophene-2-carbonyl)-amino]-4-oxo-2-propyl-4H-quinazolin-3-ylmethyl}phenyl)-thiophene-2-sulfonamide
BDBM50141057
Inchi KeyFMLPHTMNHWCUHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N4O6S3/c1-5-7-17-46-36(43)39-49(44,45)35-28(21-27(48-35)19-23(3)4)25-13-11-24(12-14-25)22-40-32(9-6-2)38-30-16-15-26(20-29(30)34(40)42)37-33(41)31-10-8-18-47-31/h8,10-16,18,20-21,23H,5-7,9,17,19,22H2,1-4H3,(H,37,41)(H,39,43)
PubChem CID11411528
ChEMBLCHEMBL291125
IUPHARN/A
BindingDB50141057
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
82023Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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