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Name | TAK779 |
---|---|
Molecular formula | C33H39N2O2+ |
IUPAC name | dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium |
Molecular weight | 495.687 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 6.4 |
Synonyms | 263765-56-6 Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride GTPL783 RN3X97C29H TAK-779 cation [ Show all ] |
Inchi Key | XNHZXMPLVSJQFK-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 |
PubChem CID | 183790 |
ChEMBL | N/A |
IUPHAR | 783 |
BindingDB | 50088301 |
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 |
---|---|---|---|---|---|
396352 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
396350 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
519479 | C-C chemokine receptor type 2 | P51683 | Ccr2 | Mus musculus (Mouse) | 373 |
396351 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
396353 | C-C chemokine receptor type 4 | P51679 | CCR4 | Homo sapiens (Human) | 360 |
396349 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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