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Name | SCHEMBL2696892 |
---|---|
Molecular formula | C16H18ClN5O |
IUPAC name | (4S)-4-[2-[4-[(5-chloropyrimidin-2-yl)amino]-3-methylphenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine |
Molecular weight | 331.804 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.7 |
Synonyms | BDBM119204 US8673950, 72 CHEMBL3660707 |
Inchi Key | BLWFKWFYYIUJDX-ZDUSSCGKSA-N |
Inchi ID | InChI=1S/C16H18ClN5O/c1-10-6-11(2-4-13-9-23-15(18)21-13)3-5-14(10)22-16-19-7-12(17)8-20-16/h3,5-8,13H,2,4,9H2,1H3,(H2,18,21)(H,19,20,22)/t13-/m0/s1 |
PubChem CID | 56967853 |
ChEMBL | CHEMBL3660707 |
IUPHAR | N/A |
BindingDB | 119204 |
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 |
---|---|---|---|---|---|
27036 | Trace amine-associated receptor 1 | Q923Y8 | Taar1 | Mus musculus (Mouse) | 332 |
27037 | Trace amine-associated receptor 1 | Q923Y9 | Taar1 | Rattus norvegicus (Rat) | 332 |
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