Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02LTS
|
|||
| Former ID |
DIB020534
|
|||
| Drug Name |
NIBR-0213
|
|||
| Synonyms |
GTPL6997; SCHEMBL2796717; CHEMBL3086703; ZINC103273369; NIBR-0213, > (2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C27H29ClN2O3
|
|||
| Canonical SMILES |
CC1=CC(=CC(=C1C(=O)NC(C)C(=O)O)C)C2=CC(=CC=C2)NC(C)C3=CC(=C(C=C3)Cl)C
|
|||
| InChI |
1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1
|
|||
| InChIKey |
KYHUARFFBDLROH-MOPGFXCFSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Sphingosine-1-phosphate receptor 1 (S1PR1) | Target Info | Antagonist | [2] |
| KEGG Pathway | FoxO signaling pathway | |||
| Sphingolipid signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| IL2 Signaling Pathway | ||||
| Pathway Interaction Database | Fc-epsilon receptor I signaling in mast cells | |||
| S1P3 pathway | ||||
| S1P1 pathway | ||||
| Sphingosine 1-phosphate (S1P) pathway | ||||
| PDGFR-beta signaling pathway | ||||
| Reactome | G alpha (i) signalling events | |||
| Lysosphingolipid and LPA receptors | ||||
| WikiPathways | Signal Transduction of S1P Receptor | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6997). | |||
| REF 2 | A potent and selective S1P(1) antagonist with efficacy in experimental autoimmune encephalomyelitis. Chem Biol. 2012 Sep 21;19(9):1142-51. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.