Compound Detail
CHEMBL1213284
COMPOUND A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1213284 |
| Name | COMPOUND A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPQKZOGFBYLICR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
6.01
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 9.4 | 9.4 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 0.4 | nM | 9.4 | Antimicrobial activity against Toxoplasma gondii type 1 RH strain infected in hu... | 19884369 |
| Toxoplasma gondii | IC50 | = | 0.4 | nM | 9.4 | Antiparasitic activity against Toxoplasma gondii RH assessed as parasitic growth... | 34894691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19884369 | 10.1128/aac.01001-09 | Toxoplasma gondii | 4 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine