Compound Detail
CHEMBL60950
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Basic Information
| ChEMBL ID | CHEMBL60950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKAVOEQMQDNHCD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
-0.01
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.1 | 5.055 | 8000.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.8 | 4.73 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of L1210 cell growth to half of the control rate | 2163454 |
| Human betaherpesvirus 5 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| Human betaherpesvirus 5 | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| Human alphaherpesvirus 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of herpes simplex virus (HSV-1) in plaque reduction assay | 2163454 |
| Human alphaherpesvirus 1 | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of herpes simplex virus (HSV-1) in yield reduction assay | 2163454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163454 | 10.1021/jm00169a028 | L1210 | 2 |
| 2163454 | 10.1021/jm00169a028 | Human betaherpesvirus 5 | 2 |
| 2163454 | 10.1021/jm00169a028 | Human alphaherpesvirus 1 | 2 |
| 2163454 | 10.1021/jm00169a028 | ADMET | 2 |
| 2163454 | 10.1021/jm00169a028 | Neoplastic cell line | 1 |
Data from ChEMBL 36 via Core Engine