Compound Detail
CHEMBL1407514
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O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL1407514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNQFKJQJWLOPJZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
3.93
ALogP
5
HBA
2
HBD
106.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.47 | 342.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 6.1 | 6.1 | 798.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 342.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 798.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine