Compound Detail
CHEMBL1336959
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Basic Information
| ChEMBL ID | CHEMBL1336959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRXMYBAZKJBJAB-UHFFFAOYSA-N |
19
Targets
33
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.36
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 23 meas. best 6.48
EC50 10 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.44 | 5.04 | 361.0 | 5 |
| Caspase-3 CHEMBL2334 | IC50 | 6.33 | 6.33 | 465.7 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.99 | 5.99 | 1021.0 | 1 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.89 | 5.89 | 1273.0 | 1 |
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.89 | 5.79 | 1300.0 | 3 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| Hexokinase CHEMBL1741201 | IC50 | 5.58 | 5.58 | 2644.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.44 | 5.44 | 3627.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.41 | 5.1767 | 3900.0 | 6 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.06 | 4.7967 | 8630.0 | 3 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.52 | 4.52 | 30100.0 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.29 | 4.29 | 51511.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 4.05 | 4.05 | 88211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine