Compound Detail
CHEMBL124696
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Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)NCCC2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL124696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWTLVZWCHAGMRK-VMPREFPWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
637.9
MW (Da)
3.09
ALogP
9
HBA
5
HBD
164.3
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASAR... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00030-9 | Peptide N-myristoyltransferase | 2 |
| - | 10.1016/S0960-894X(97)00030-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine