Compound Detail
CHEMBL305199
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](CC(C)C)C(=O)O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL305199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGJZPYBZIFEXJA-IBPRQYQWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
0.96
ALogP
7
HBA
7
HBD
223.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215 | IC50 | 8.52 | 7.275 | 3.0 | 2 |
| Ribonucleoside-diphosphate reductase large subunit CHEMBL3840 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibitory potency against Herpes Simplex virus ribonucleotide reductase | - |
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide red... | 8863795 |
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase ... | 8667361 |
| Ribonucleoside-diphosphate reductase RR1 | IC50 | = | 925.0 | nM | 6.03 | Inhibitory potency against Varicella zoster virus ribonucleotide reductase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00532-X | Unchecked | 1 |
| - | 10.1016/S0960-894X(96)00532-X | Ribonucleoside-diphosphate reductase RR1 | 1 |
| 8863795 | 10.1021/jm960324r | Ribonucleoside-diphosphate reductase RR1 | 1 |
| 8667361 | 10.1021/jm950825x | Ribonucleoside-diphosphate reductase large subunit | 1 |
Data from ChEMBL 36 via Core Engine