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Name | CHEMBL3704567 |
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Molecular formula | C19H18ClN3O5 |
IUPAC name | 3-[(6-chloro-2-oxo-1H-pyridin-3-yl)amino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione |
Molecular weight | 403.819 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 2.2 |
Synonyms | 3-(6-chloro-2-hydroxypyridin-3-ylamino)-4-{[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino}cyclobut-3-ene-1,2-dione AFJOTRXLUOFBJR-UHFFFAOYSA-N SCHEMBL14895009 |
Inchi Key | AFJOTRXLUOFBJR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H18ClN3O5/c1-9-3-5-11(28-9)17(19(2)7-27-8-19)23-14-13(15(24)16(14)25)21-10-4-6-12(20)22-18(10)26/h3-6,17,21,23H,7-8H2,1-2H3,(H,22,26) |
PubChem CID | 71525701 |
ChEMBL | CHEMBL3704567 |
IUPHAR | N/A |
BindingDB | 172360 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
463403 | C-X-C chemokine receptor type 1 | P25024 | CXCR1 | Homo sapiens (Human) | 350 |
517340 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
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