Compound Detail
CHEMBL1309018
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
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL1309018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHFUKBBKJQDPIW-CPNJWEJPSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.76
ALogP
7
HBA
1
HBD
122.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.01 | 4.69 | 9690.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9690.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 26700.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 58700.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine