Compound Detail
CHEMBL2021513
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Basic Information
| ChEMBL ID | CHEMBL2021513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRBMEZUIFJSKOB-YFKPBYRVSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
291.2
MW (Da)
-0.14
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Moloney murine sarcoma virus CHEMBL613501 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.64 | 5.28 | 2300.0 | 3 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Moloney murine sarcoma virus | EC50 | = | 130.0 | nM | 6.89 | Antiviral against Moloney murine sarcoma virus infected in mouse C3H/3T3 cells a... | 21429755 |
| Hepatitis B virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against Hepatitis B virus | 21429755 |
| Human immunodeficiency virus 1 | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against HIV1 3B infected in human CEM cells assessed as inhib... | 21429755 |
| Human immunodeficiency virus 2 | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against HIV2 ROD infected in human CEM cells assessed as inhi... | 21429755 |
| Human immunodeficiency virus 1 | EC50 | = | 7040.0 | nM | 5.15 | Antiviral activity against HIV1 3B infected in human MT-2 cells assessed as redu... | 21664011 |
| Human immunodeficiency virus 1 | EC50 | = | 8900.0 | nM | 5.05 | Antiviral activity against HIV1 infected in human MT4 cells assessed as inhibiti... | 21429755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17893157 | 10.1128/aac.00838-07 | ADMET | 4 |
| 17893157 | 10.1128/aac.00838-07 | Unchecked | 4 |
| 17893157 | 10.1128/aac.00838-07 | Camelpox virus | 4 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Human immunodeficiency virus 1 | 2 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | CCRF-CEM | 2 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Hepatitis B virus | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Human immunodeficiency virus 2 | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Moloney murine sarcoma virus | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | MT4 | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | Human immunodeficiency virus 1 | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine