Compound Detail
CHEMBL494760
ORMETOPRIM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL494760 |
| Name | ORMETOPRIM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KEEYRKYKLYARHO-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
8
Known Names
Molecular Properties
274.3
MW (Da)
1.56
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.69 | 5.42 | 2030.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2030.0 | nM | 5.69 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 2396.0 | nM | 5.62 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 2880.0 | nM | 5.54 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 3050.0 | nM | 5.52 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 5980.0 | nM | 5.22 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 11730.0 | nM | 4.93 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19231180 | 10.1016/j.bmcl.2009.02.003 | P2X2/P2X3 heterotrimeric receptor | 1 |
| 19231180 | 10.1016/j.bmcl.2009.02.003 | P2X purinoceptor 3 | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513141 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine