Compound Detail
CHEMBL1461972
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Basic Information
| ChEMBL ID | CHEMBL1461972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQMVNYIMBARVFB-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.70
ALogP
5
HBA
2
HBD
97.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.59
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 5.59 | 5.59 | 2570.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.8 | 4.8 | 15760.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.3633 | 37110.0 | 3 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.42 | 4.42 | 38480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 2570.4 | nM | 5.59 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Giardia intestinalis | IC50 | = | 2570.0 | nM | 5.59 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Unchecked | EC50 | = | 15760.0 | nM | 4.8 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 37110.0 | nM | 4.43 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Leishmania amazonensis | IC50 | = | 38480.0 | nM | 4.42 | Antimicrobial activity against promastigote stage of Leishmania amazonensis IFLA... | 24529307 |
| Unchecked | IC50 | = | 40340.0 | nM | 4.39 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 53370.0 | nM | 4.27 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24529307 | 10.1016/j.bmc.2014.01.029 | Giardia intestinalis | 2 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Vero | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trypanosoma cruzi | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Leishmania amazonensis | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine