Compound Detail
CHEMBL134961
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
CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL134961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJTODRDPAGWPEJ-DEJKCJRPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
1.26
ALogP
7
HBA
7
HBD
206.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide red... | 8863795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863795 | 10.1021/jm960324r | Ribonucleoside-diphosphate reductase RR1 | 1 |
Data from ChEMBL 36 via Core Engine