Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX9KL1
|
||||
| Drug Name |
CHEMBL446325
|
||||
| Synonyms |
(6S,9S,12R,15S,18S)-1-((2S,4R)-1-((S)-1-((S)-2-((R)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl)-6,12,15-tribenzyl-18-(3-guanidinopropyl)-9-(hydroxymethyl)-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid
|
||||
| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C60H87N19O13
|
||||
| Canonical SMILES |
N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
|
||||
| InChI |
InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
|
||||
| InChIKey |
RBIXVHPHNGXTCI-QJTYZATASA-N
|
||||
| Target and Pathway | |||||
| Target(s) | B1 bradykinin receptor | Target Info | [1587926] | ||
| B2 bradykinin receptor | Target Info | [1587926] | |||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Complement and coagulation cascades | |||||
| Inflammatory mediator regulation of TRP channels | |||||
| Regulation of actin cytoskeleton | |||||
| Pathways in cancerhsa04020:Calcium signaling pathway | |||||
| cGMP-PKG signaling pathway | |||||
| Sphingolipid signaling pathway | |||||
| Endocrine and other factor-regulated calcium reabsorption | |||||
| Chagas disease (American trypanosomiasis) | |||||
| Pathways in cancer | |||||
| Pathway Interaction Database | Direct p53 effectors | ||||
| Validated transcriptional targets of deltaNp63 isoforms | |||||
| WikiPathways | Complement and Coagulation Cascades | ||||
| ACE Inhibitor Pathway | |||||
| Regulation of Actin Cytoskeleton | |||||
| GPCRs, Class A Rhodopsin-like | |||||
| Vitamin D Receptor Pathway | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP554:ACE Inhibitor Pathway | |||||
| Nifedipine Activity | |||||
| GPCR downstream signaling | |||||
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.