Compound Detail
CHEMBL4212444
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Basic Information
| ChEMBL ID | CHEMBL4212444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGMBTZXCGDMNPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.665 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of recombinant Cryptosporidium parvum FIKK using RRRAPSFYRK peptide a... | 28162900 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of Cryptosporidium parvum CDPK1 using PLARTLSVAGLPGKK peptide as subs... | 28162900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28162900 | 10.1016/j.bmc.2017.01.036 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine