Compound Detail
CHEMBL3199050
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Basic Information
| ChEMBL ID | CHEMBL3199050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTGPABZHVNQSCA-KAMYIIQDSA-N |
9
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.83
ALogP
5
HBA
0
HBD
72.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.58
EC50 5 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 6.58 | 6.46 | 260.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.27 | 5.6725 | 542.0 | 4 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.57 | 5.57 | 2707.5 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.53 | 5.375 | 2921.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.21 | 5.21 | 6187.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.13 | 5.13 | 7430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine