Compound Detail
CHEMBL1359359
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Basic Information
| ChEMBL ID | CHEMBL1359359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGYMFYABMLHWEH-BTJKTKAUSA-N |
| Parent Compound | CHEMBL1618557 |
| Active Moiety | CHEMBL1618557 |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
2.97
ALogP
4
HBA
3
HBD
52.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.65 | 4.955 | 2230.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.47 | 5.405 | 3350.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.35 | 5.35 | 4503.7 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine