Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07TDT
|
|||
| Former ID |
DIB009886
|
|||
| Drug Name |
L-733560
|
|||
| Synonyms |
AC1L4318; L 733560; Pneumocandin B0, 1-((4R,5R)-5-(2-aminoethoxy)-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine)-5-((3R)-3-hydroxy-L-ornithine)
Click to Show/Hide
|
|||
| Indication | Aspergillosis [ICD-11: 1F20; ICD-10: B44, B44.9] | Terminated | [1] | |
| Company |
Merck & Co Inc
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C52H85N9O16
|
|||
| Canonical SMILES |
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(=O)C4=CC=C(C=C4)O)O)C(CCN)O)O)OCCN)O
|
|||
| InChI |
1S/C52H85N9O16/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(68)55-34-26-38(67)50(77-23-21-54)59-49(74)43-37(66)19-22-60(43)52(76)41(36(65)18-20-53)57-48(73)42(45(70)44(69)31-14-16-32(63)17-15-31)58-47(72)35-25-33(64)27-61(35)51(75)40(30(4)62)56-46(34)71/h14-17,28-30,33-38,40-43,45,50,62-67,70H,5-13,18-27,53-54H2,1-4H3,(H,55,68)(H,56,71)(H,57,73)(H,58,72)(H,59,74)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40?,41+,42?,43+,45+,50+/m1/s1
|
|||
| InChIKey |
UWUVRFXWJQIKTQ-NQPUGUJXSA-N
|
|||
| CAS Number |
CAS 150283-06-0
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Fungal 1,3-beta-glucan synthase (Fung GSC2) | Target Info | Modulator | [2] |
| KEGG Pathway | Starch and sucrose metabolism | |||
| MAPK signaling pathway - yeast | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003552) | |||
| REF 2 | Discovery of Novel Antifungal (1,3)--d-Glucan Synthase Inhibitors | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.