Compound Detail
CHEMBL9892
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Basic Information
| ChEMBL ID | CHEMBL9892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFYKADOLBDURBY-JTQLQIEISA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
2.20
ALogP
6
HBA
5
HBD
127.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.64
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| H9 CHEMBL614806 | EC50 | 4.64 | 4.64 | 23000.0 | 1 |
| HOS CHEMBL614736 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human H9 cells | 1919593 |
| Human immunodeficiency virus 1 | IC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against HIV1 HTLV-3B in human H9 cells after 3 days by p24 an... | 1919593 |
| HOS | EC50 | = | 26000.0 | nM | 4.58 | Effective concentration required to inhibit growth of sub clone Hos colR cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80284-X | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80284-X | HOS | 1 |
| 1919593 | 10.1021/np50074a052 | Human immunodeficiency virus 1 | 1 |
| 1919593 | 10.1021/np50074a052 | H9 | 1 |
Data from ChEMBL 36 via Core Engine