Compound Detail
CHEMBL1830971
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCN(CC)CC.Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1830971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEABNZMSUTYVOU-SOIKFHLCSA-N |
| Parent Compound | CHEMBL1851744 |
| Active Moiety | CHEMBL1851744 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.8
MW (Da)
2.69
ALogP
7
HBA
3
HBD
171.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 120.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HIV1 infected in human CEM-T4 cells assessed as reduc... | 21834513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21834513 | 10.1021/jm2001103 | Human immunodeficiency virus 1 | 3 |
| 21834513 | 10.1021/jm2001103 | ADMET | 2 |
| 21834513 | 10.1021/jm2001103 | No relevant target | 1 |
| 21834513 | 10.1021/jm2001103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine