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Name | CHEMBL247635 |
---|---|
Molecular formula | C33H44F3N5O4 |
IUPAC name | N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-(cyclohexanecarbonylamino)-5-(trifluoromethyl)benzamide |
Molecular weight | 631.741 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 5.4 |
Synonyms | BDBM50219896 SCHEMBL5119210 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(cyclohexanecarboxamido)-5-(trifluoromethyl)benzamide |
Inchi Key | AOCRHIVQXBBGQL-MHZLTWQESA-N |
Inchi ID | InChI=1S/C33H44F3N5O4/c1-20-11-12-23(21(2)15-20)17-37-18-27(31(45)41-32(3,4)5)39-28(42)19-38-30(44)25-16-24(33(34,35)36)13-14-26(25)40-29(43)22-9-7-6-8-10-22/h11-16,22,27,37H,6-10,17-19H2,1-5H3,(H,38,44)(H,39,42)(H,40,43)(H,41,45)/t27-/m0/s1 |
PubChem CID | 44442591 |
ChEMBL | CHEMBL247635 |
IUPHAR | N/A |
BindingDB | 50219896 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
10121 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
10122 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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