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Name | CHEMBL154103 |
---|---|
Molecular formula | C12H12ClNO3 |
IUPAC name | (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid |
Molecular weight | 253.682 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | MLS000850798 BDBM50136837 (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid cid_6148558 AC1O2ADR [ Show all ] |
Inchi Key | ASNQTQOSQYVBIA-AATRIKPKSA-N |
Inchi ID | InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+ |
PubChem CID | 6148558 |
ChEMBL | CHEMBL154103 |
IUPHAR | N/A |
BindingDB | 50136837 |
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 |
---|---|---|---|---|---|
13346 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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