Compound Detail
CHEMBL557488
FUMITREMORGIN F Enter ChEMBL ID:
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C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL557488 |
| Name | FUMITREMORGIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVBIGFFAMBWOSA-RGKJGADRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
1.44
ALogP
7
HBA
1
HBD
93.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.39
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 41000.0 | nM | 4.39 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 19256529 |
| Unchecked | IC50 | = | 90000.0 | nM | 4.05 | Antiproliferative activity against human U373 cells assessed as inhibition of ce... | 36375335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256529 | 10.1021/np800700e | KB | 1 |
| 19256529 | 10.1021/np800700e | K562 | 1 |
| 19256529 | 10.1021/np800700e | MCF7 | 1 |
| 19256529 | 10.1021/np800700e | PC-12 | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | HCT-116 | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | HepG2 | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | Unchecked | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | A549 | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | MCF7 | 1 |
| 36375335 | 10.1016/j.ejmech.2022.114915 | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine