Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04KKT
|
|||
| Former ID |
DNC000815
|
|||
| Drug Name |
ISO-1
|
|||
| Synonyms |
478336-92-4; MIF Antagonist, ISO-1; methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate; CHEMBL210858; IN1228; 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester; Macrophage Migration Inhibitory Factor Antagonist, ISO-1; (S,R)-3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid, methyl ester; 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-5-ISOXAZOLEACETIC ACID, METHYL ESTER; AC1O1KG2; SCHEMBL668287; GTPL9984; CTK8E8677; MolPort-027-836-626; BCP15471; EX-A2475; BDBM50186426; 6540AB
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C12H13NO4
|
|||
| Canonical SMILES |
COC(=O)CC1CC(=NO1)C2=CC=C(C=C2)O
|
|||
| InChI |
1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
|
|||
| InChIKey |
AIXMJTYHQHQJLU-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 478336-92-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
5392, 75272, 8137967, 8169469, 11342205, 11362388, 11372611, 11375088, 11484207, 11487790, 11488332, 11491521, 11493499, 11537926, 16214245, 24859081, 26613190, 26679282, 34669514, 46508087, 47217075, 47589250, 47662556, 47811046, 48110751, 48259528, 48334800, 48416425, 49698998, 49998290, 49998467, 50065094, 50122763, 50122764, 56365833, 57310348, 75141456, 85789326, 93166534, 104224945, 104298649, 124637421, 125309883, 126524244, 126666496, 127752080, 134338176, 134340133, 134340378, 134989328
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Macrophage migration inhibitory factor (MIF) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Tyrosine metabolism | |||
| Phenylalanine metabolism | ||||
| Pathwhiz Pathway | Tyrosine Metabolism | |||
| WikiPathways | Spinal Cord Injury | |||
| Adipogenesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The tautomerase active site of macrophage migration inhibitory factor is a potential target for discovery of novel anti-inflammatory agents. J Biol Chem. 2002 Jul 12;277(28):24976-82. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.