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Name | CHEMBL48195 |
---|---|
Molecular formula | C29H29ClN4O5 |
IUPAC name | 2-butyl-3-[[4-[[(2S)-2-(2-carboxypyrrol-1-yl)-3-phenylpropanoyl]amino]phenyl]methyl]-5-chloroimidazole-4-carboxylic acid |
Molecular weight | 549.024 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 5.8 |
Synonyms | 1-[4-[[(S)-1-Oxo-2-benzyl-2-[2-carboxy-1H-pyrrol-1-yl]ethyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-carboxylic acid BDBM50047954 SCHEMBL9589224 2-Butyl-3-{4-[2-(2-carboxy-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-5-chloro-3H-imidazole-4-carboxylic acid |
Inchi Key | CNKCJRDFVSHDOR-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C29H29ClN4O5/c1-2-3-11-24-32-26(30)25(29(38)39)34(24)18-20-12-14-21(15-13-20)31-27(35)23(17-19-8-5-4-6-9-19)33-16-7-10-22(33)28(36)37/h4-10,12-16,23H,2-3,11,17-18H2,1H3,(H,31,35)(H,36,37)(H,38,39)/t23-/m0/s1 |
PubChem CID | 15356433 |
ChEMBL | CHEMBL48195 |
IUPHAR | N/A |
BindingDB | 50047954 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
46102 | Type-1B angiotensin II receptor | P29089 | Agtr1b | Rattus norvegicus (Rat) | 359 |
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