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Name | CHEMBL297202 |
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Molecular formula | C29H31ClN4O3 |
IUPAC name | 2-[2-butyl-5-chloro-3-[[4-[[(2S)-3-phenyl-2-pyrrol-1-ylpropanoyl]amino]phenyl]methyl]imidazol-4-yl]acetic acid |
Molecular weight | 519.042 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | BDBM50047926 {2-Butyl-5-chloro-3-[4-(3-phenyl-2-pyrrol-1-yl-propionylamino)-benzyl]-3H-imidazol-4-yl}-acetic acid 1-[4-[[(2S)-2-(1H-Pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid |
Inchi Key | GPDPEDZYDMMVIC-VWLOTQADSA-N |
Inchi ID | InChI=1S/C29H31ClN4O3/c1-2-3-11-26-32-28(30)24(19-27(35)36)34(26)20-22-12-14-23(15-13-22)31-29(37)25(33-16-7-8-17-33)18-21-9-5-4-6-10-21/h4-10,12-17,25H,2-3,11,18-20H2,1H3,(H,31,37)(H,35,36)/t25-/m0/s1 |
PubChem CID | 44293962 |
ChEMBL | CHEMBL297202 |
IUPHAR | N/A |
BindingDB | 50047926 |
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 |
---|---|---|---|---|---|
101831 | Type-1B angiotensin II receptor | P29089 | Agtr1b | Rattus norvegicus (Rat) | 359 |
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