Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P0DT
|
|||
| Former ID |
DIB014966
|
|||
| Drug Name |
TAK-044
|
|||
| Synonyms |
TAK 044; 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxymethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid; AC1NSKOX; TAK044
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Renal failure [ICD-11: GB60-GB6Z; ICD-10: N17-N19; ICD-9: 584, 585] | Discontinued in Phase 2 | [1], [2] | |
| Company |
Takeda Pharmaceutical Co Ltd
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C45H51N9Na2O11S
|
|||
| Canonical SMILES |
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC=CS2)CC(=O)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-])CC5=CNC6=CC=CC=C65.[Na+].[Na+]
|
|||
| InChI |
1S/C45H53N9O11S.2Na/c1-25(2)19-30-40(60)47-31(20-26-24-46-29-12-7-6-11-28(26)29)41(61)49-33(22-37(56)57)43(63)48-32(21-36(55)54-16-14-53(15-17-54)27-9-4-3-5-10-27)42(62)50-34(23-38(58)59)44(64)52-39(45(65)51-30)35-13-8-18-66-35;;/h3-13,18,24-25,30-34,39,46H,14-17,19-23H2,1-2H3,(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,65)(H,52,64)(H,56,57)(H,58,59);;/q;2*+1/p-2/t30-,31+,32-,33+,34-,39+;;/m0../s1
|
|||
| InChIKey |
UWHBIISPHYTOGL-PFSAEEMXSA-L
|
|||
| CAS Number |
CAS 157380-72-8
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin receptor (EDNR) | Target Info | Modulator | [3] |
| 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: 3913). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004017) | |||
| REF 3 | Pharmacology of a non-selective ETA and ETB receptor antagonist, TAK-044 and the inhibition of myocardial infarct size in rats. Br J Pharmacol. 1995 Mar;114(5):949-54. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.