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Name | CHEMBL394112 |
---|---|
Molecular formula | C28H28ClN5 |
IUPAC name | 7-(2-chloro-4,6-dimethylphenyl)-4-methyl-3-[(2-phenylpyrrolidin-1-yl)methyl]-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene |
Molecular weight | 470.017 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 6.9 |
Synonyms | 8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-(2-phenyl-pyrrolidin-1-ylmethyl)-8H-1,3a,7,8-tetraaza-cyclopenta[a]indene BDBM50203622 SCHEMBL14446675 |
Inchi Key | AYPRBDIXIJJDIB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H28ClN5/c1-18-15-19(2)26(22(29)16-18)34-27-24(11-7-13-30-27)33-25(20(3)31-28(33)34)17-32-14-8-12-23(32)21-9-5-4-6-10-21/h4-7,9-11,13,15-16,23H,8,12,14,17H2,1-3H3 |
PubChem CID | 20780049 |
ChEMBL | CHEMBL394112 |
IUPHAR | N/A |
BindingDB | 50203622 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
17669 | Corticotropin-releasing factor receptor 1 | P34998 | CRHR1 | Homo sapiens (Human) | 444 |
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