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Name | CHEMBL401010 |
---|---|
Molecular formula | C26H31F3N4O3 |
IUPAC name | N-[2-[[(2S)-3-[(2,4-dimethylphenyl)methylamino]-1-[(1-methylcyclopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
Molecular weight | 504.554 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 3.9 |
Synonyms | BDBM50219891 SCHEMBL5126052 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(1-methylcyclopropylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide |
Inchi Key | BBDNWXOVFUSDDU-NRFANRHFSA-N |
Inchi ID | InChI=1S/C26H31F3N4O3/c1-16-7-8-19(17(2)11-16)13-30-14-21(24(36)33-25(3)9-10-25)32-22(34)15-31-23(35)18-5-4-6-20(12-18)26(27,28)29/h4-8,11-12,21,30H,9-10,13-15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1 |
PubChem CID | 44442557 |
ChEMBL | CHEMBL401010 |
IUPHAR | N/A |
BindingDB | 50219891 |
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 |
---|---|---|---|---|---|
19410 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
19409 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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