Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02LXI
|
|||
| Former ID |
DIB020135
|
|||
| Drug Name |
Ki16425
|
|||
| Synonyms |
SCHEMBL13385834
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C23H23ClN2O5S
|
|||
| Canonical SMILES |
CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)O
|
|||
| InChI |
1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
|
|||
| InChIKey |
LLIFMNUXGDHTRO-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 355025-24-0
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:91194
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | G protein coupled receptor 87 (GPR87) | Target Info | Antagonist | [2] |
| Lysophosphatidate-3 receptor (LPAR3) | Target Info | Antagonist | [3] | |
| Lysophosphatidic acid receptor 1 (LPAR1) | Target Info | Antagonist | [4] | |
| Lysophosphatidic acid receptor 2 (LPAR2) | Target Info | Antagonist | [3] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| PI3K-Akt signaling pathway | ||||
| Gap junction | ||||
| Pathways in cancer | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| Pathway Interaction Database | LPA receptor mediated events | |||
| Reactome | G alpha (q) signalling events | |||
| G alpha (i) signalling events | ||||
| Lysosphingolipid and LPA receptors | ||||
| WikiPathways | Myometrial Relaxation and Contraction Pathways | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| 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: 2907). | |||
| REF 2 | The orphan GPCR GPR87 was deorphanized and shown to be a lysophosphatidic acid receptor. Biochem Biophys Res Commun. 2007 Nov 23;363(3):861-6. | |||
| REF 3 | Ki16425, a subtype-selective antagonist for EDG-family lysophosphatidic acid receptors. Mol Pharmacol. 2003 Oct;64(4):994-1005. | |||
| REF 4 | Targeting lysophosphatidic acid receptor type 1 with Debio 0719 inhibits spontaneous metastasis dissemination of breast cancer cells independently of cell proliferation and angiogenesis. Int J Oncol. 2012 Apr;40(4):1133-41. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.