Compound Detail
CHEMBL610087
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CC(C)Nc1nc2cc3cc(Cl)c(Cl)cc3cc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL610087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDNUGRXVUFPIMX-NGHJQRJNSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
2.93
ALogP
7
HBA
4
HBD
99.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 4.5 | 4.5 | 32000.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 32000.0 | nM | 4.5 | Antiviral activity against towne strain HCMV was determined by plaque reduction ... | 10882370 |
| HFF | IC50 | = | 32000.0 | nM | 4.5 | Visual cytotoxicity against stationary human foreskin fibroblasts (HFF) cells at... | 10882370 |
| Human alphaherpesvirus 1 | IC50 | = | 80000.0 | nM | 4.1 | Antiviral activity against HSV-1 (herpes simplex virus), determined by ELISA in ... | 10882370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882370 | 10.1021/jm990290y | HFF | 2 |
| 10882370 | 10.1021/jm990290y | Human alphaherpesvirus 1 | 1 |
| 10882370 | 10.1021/jm990290y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine