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Name | CHEMBL372528 |
---|---|
Molecular formula | C29H31Cl2N5O3 |
IUPAC name | 4-[2-[(3-chlorobenzoyl)amino]-4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide |
Molecular weight | 568.499 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.7 |
Synonyms | BDBM50175177 SCHEMBL4587795 4-(4-((4-chlorobenzyl)carbamoyl)-2-(3-chlorobenzamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide |
Inchi Key | AHYZNRZNKMJRFI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H31Cl2N5O3/c1-2-32-29(39)36-14-4-13-35(15-16-36)26-12-9-22(27(37)33-19-20-7-10-23(30)11-8-20)18-25(26)34-28(38)21-5-3-6-24(31)17-21/h3,5-12,17-18H,2,4,13-16,19H2,1H3,(H,32,39)(H,33,37)(H,34,38) |
PubChem CID | 44406274 |
ChEMBL | CHEMBL372528 |
IUPHAR | N/A |
BindingDB | 50175177 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
6003 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
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