Compound Detail
CHEMBL1994596
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Basic Information
| ChEMBL ID | CHEMBL1994596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGLDGDPJFYWBHB-WUXMJOGZSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
0.85
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.76
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.76 | 6.76 | 172.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.04 | 6.04 | 916.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 172.0 | nM | 6.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 916.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 30300.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine