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Name | CHEMBL2024589 |
---|---|
Molecular formula | C31H32N6O3 |
IUPAC name | 6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde |
Molecular weight | 536.636 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BDBM50382759 DGLCQJOSRUUFHF-UHFFFAOYSA-N (+/-)-6-(1-(7-Methyl-1H-indazol-5-yl)-4-oxo-4-(4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidin-1-yl)butan-2-yl)nicotinaldehyde SCHEMBL4501256 |
Inchi Key | DGLCQJOSRUUFHF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H32N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,19,24,26H,8-11,13,15,18H2,1H3,(H,33,35)(H,34,40) |
PubChem CID | 11341642 |
ChEMBL | CHEMBL2024589 |
IUPHAR | N/A |
BindingDB | 50382759 |
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 |
---|---|---|---|---|---|
59365 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
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