Compound Detail
CHEMBL285848
MANUMYCIN A Enter ChEMBL ID:
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CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O
Basic Information
| ChEMBL ID | CHEMBL285848 |
| Name | MANUMYCIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWWQHCKLTXDWBD-MVTGTTCWSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
3.70
ALogP
7
HBA
4
HBD
145.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Thioredoxin reductase 1, cytoplasmic CHEMBL6035 | IC50 | 6.57 | 6.2033 | 272.0 | 3 |
| GTPase KRas CHEMBL2189121 | IC50 | 5.45 | 5.45 | 3580.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Protein farnesyltransferase (unknown origin) | 34236862 |
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 272.0 | nM | 6.57 | Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli ... | 29670693 |
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 572.0 | nM | 6.24 | Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli ... | 29670693 |
| Thioredoxin reductase 1, cytoplasmic | IC50 | = | 1586.0 | nM | 5.8 | Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli ... | 29670693 |
| GTPase KRas | IC50 | = | 3580.0 | nM | 5.45 | Antiproliferative activity against human COLO 320DM cells harboring wild type KR... | 33228976 |
| Protein farnesyltransferase | IC50 | = | 11900.0 | nM | 4.92 | Inhibition of [3H]farnesyl pyrophosphate binding to human farnesyltransferase | 12699746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670693 | 10.1021/acsmedchemlett.7b00489 | Thioredoxin reductase 1, cytoplasmic | 14 |
| 12699746 | 10.1016/s0960-894x(03)00183-5 | Protein farnesyltransferase | 1 |
| 15787434 | 10.1021/np030518r | Bacillus subtilis | 1 |
| 15787434 | 10.1021/np030518r | Streptomyces viridochromogenes | 1 |
| 15787434 | 10.1021/np030518r | Staphylococcus aureus | 1 |
| 15787434 | 10.1021/np030518r | Escherichia coli | 1 |
| 15787434 | 10.1021/np030518r | Chlorella vulgaris | 1 |
| 15787434 | 10.1021/np030518r | Chlorella sorokiniana | 1 |
| 15787434 | 10.1021/np030518r | Desmodesmus subspicatus | 1 |
| 15787434 | 10.1021/np030518r | Rhizomucor miehei | 1 |
| 15787434 | 10.1021/np030518r | Candida albicans | 1 |
| 29670693 | 10.1021/acsmedchemlett.7b00489 | No relevant target | 1 |
| 33228976 | 10.1016/j.ejmech.2020.113006 | GTPase KRas | 1 |
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine