Compound Detail
CHEMBL487131
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N=C(N)Nc1ccccc1O[C@H]1C[C@@H](Oc2ccccc2NC(=N)N)[C@H](NC(=N)N)C[C@@H]1NC(=N)N
Basic Information
| ChEMBL ID | CHEMBL487131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYQCJIJTXZCLDD-MHGIMSBQSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
-0.01
ALogP
6
HBA
12
HBD
266.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.06
Ki 1 meas. best 4.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of DENV1 N-terminally hexa-His tagged NS2B (48 to 95 residues) -NS3 (... | 27092412 |
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of DENV3 N-terminally hexa-His tagged NS2B (48 to 95 residues) -NS3 (... | 27092412 |
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of DENV2 N-terminally hexa-His tagged NS2B (48 to 95 residues) -NS3 (... | 27092412 |
| Unchecked | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of DENV4 N-terminally hexa-His tagged NS2B (48 to 95 residues) -NS3 (... | 27092412 |
| Furin | Ki | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant furin-dependent anthrax protective antigen proce... | 18977558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27092412 | 10.1016/j.ejmech.2016.04.008 | Unchecked | 4 |
| 18977558 | 10.1016/j.ejmech.2008.09.028 | Furin | 1 |
Data from ChEMBL 36 via Core Engine