Compound Detail
CHEMBL4465368
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
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(=N)NO)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL4465368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCLTVWIYAGODJB-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
2.70
ALogP
5
HBA
3
HBD
113.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.16 | nM | 9.8 | Antiviral activity against ENV pseudotyped HIV1 JFRL infected in human HeLa67 ce... | 30940396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940396 | 10.1016/j.bmcl.2019.03.018 | MT2 | 1 |
| 30940396 | 10.1016/j.bmcl.2019.03.018 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine