Compound Detail
CHEMBL34971
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Basic Information
| ChEMBL ID | CHEMBL34971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAFNDRDUGFOXIC-UPVQGACJSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
4.86
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.6
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | Ki | 8.74 | 8.485 | 1.8 | 2 |
| Protein kinase C (PKC) CHEMBL2093867 | EC50 | 7.6 | 6.31 | 25.0 | 4 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]-PDBu from human recombinant Protein kinase C delta | 10498208 |
| Protein kinase C delta type | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]PDBu from recombinant Protein kinase C delta | 9554881 |
| Human immunodeficiency virus 1 | EC50 | = | 25.0 | nM | 7.6 | HIV1-latency reversing activity in human ACH-2 cell line incubated for 48 hrs | 37224601 |
| Protein kinase C (PKC) | EC50 | = | 25.0 | nM | 7.6 | Activation of PKC in human ACH-2 cells infected with latent HIV-1 assessed as re... | 30413535 |
| Protein kinase C (PKC) | EC50 | = | 34.0 | nM | 7.47 | Activation of PKC in human U1 cells infected with latent HIV-1 assessed as rever... | 30413535 |
| Protein kinase C (PKC) | EC50 | = | 6300.0 | nM | 5.2 | Activation of PKC in human J-Lat 6.3 cells infected with latent HIV-1 assessed a... | 30413535 |
| Protein kinase C (PKC) | EC50 | = | 10600.0 | nM | 4.97 | Activation of PKC in human J-Lat 10.6 cells infected with latent HIV-1 assessed ... | 30413535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30413535 | 10.1074/jbc.ra118.005798 | Protein kinase C (PKC) | 27 |
| 30413535 | 10.1074/jbc.ra118.005798 | ADMET | 18 |
| 30413535 | 10.1074/jbc.ra118.005798 | U1 | 7 |
| 30413535 | 10.1074/jbc.ra118.005798 | ACH-2 cell line | 5 |
| 30413535 | 10.1074/jbc.ra118.005798 | Unchecked | 3 |
| 30413535 | 10.1074/jbc.ra118.005798 | J-Lat 6.3 | 3 |
| 9554881 | 10.1021/jm970704s | Protein kinase C delta type | 1 |
| 10498208 | 10.1016/s0960-894x(99)00436-9 | HL-60 | 1 |
| 10498208 | 10.1016/s0960-894x(99)00436-9 | Protein kinase C delta type | 1 |
| 37224601 | 10.1016/j.ejmech.2023.115449 | Human immunodeficiency virus 1 | 1 |
| 30413535 | 10.1074/jbc.ra118.005798 | U-937 | 1 |
| 30413535 | 10.1074/jbc.ra118.005798 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine