Compound Detail
CHEMBL99703
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
Basic Information
| ChEMBL ID | CHEMBL99703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOBIZYYFYLLRAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
185.6
MW (Da)
2.77
ALogP
3
HBA
1
HBD
26.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... | 33894528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33894528 | 10.1016/j.ejmech.2021.113455 | ADMET | 5 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase, inducible | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 3 | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 1 | 1 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine