Compound Detail
CHEMBL497451
MYCALAMIDE A Enter ChEMBL ID:
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C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](O)CO)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL497451 |
| Name | MYCALAMIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJASURGZDJYQGF-GBNRTHSESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
0.06
ALogP
10
HBA
4
HBD
145.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| LLC-PK1 CHEMBL614577 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| HeLa CHEMBL399 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| P388 CHEMBL389 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 0.46 | nM | 9.34 | Cytotoxicity against human H441 cells after 96 hrs by MTT assay | 10843597 |
| SH-SY5Y | IC50 | = | 0.52 | nM | 9.28 | Cytotoxicity against human SH-SY5Y cells after 96 hrs by MTT assay | 10843597 |
| LLC-PK1 | IC50 | = | 0.65 | nM | 9.19 | Cytotoxicity against pig LLC-PK1 cells after 96 hrs by MTT assay | 10843597 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Antiproliferative activity against mouse JB6 Cl 41-5a cells assessed as cell gro... | 33592144 |
| HeLa | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human HeLa cells assessed as cell growth inhi... | 33592144 |
| P388 | IC50 | = | 5.2 | nM | 8.28 | Cytotoxicity against mouse P388 cells after 96 hrs by MTT assay | 10843597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00365-X | Vero | 2 |
| - | 10.1016/S0960-894X(97)00365-X | HEL | 2 |
| - | 10.1016/S0960-894X(97)00365-X | HeLa | 1 |
| 10843596 | 10.1021/np990431z | P388 | 1 |
| 10843597 | 10.1021/np9904511 | P388 | 1 |
| 10843597 | 10.1021/np9904511 | LLC-PK1 | 1 |
| 10843597 | 10.1021/np9904511 | NON-PROTEIN TARGET | 1 |
| 10843597 | 10.1021/np9904511 | SH-SY5Y | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | HeLa | 1 |
| 33592144 | 10.1021/acs.jmedchem.0c01746 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine