Compound Detail
CHEMBL3198643
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CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)n1-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3198643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKPRWKRQXNNBDW-YJNWBYFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
4.40
ALogP
8
HBA
0
HBD
93.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.8 | 5.8 | 1572.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.1 | 4.1 | 79549.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-binding protein pos-1 | EC50 | = | 1572.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 79549.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine