Compound Detail
CHEMBL555367
LANTADENE B Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C(=O)O
Basic Information
| ChEMBL ID | CHEMBL555367 |
| Name | LANTADENE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYPAPFHUHDWCBI-CNSFRLJCSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
552.8
MW (Da)
7.93
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.94 | 4.91 | 11400.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
| KB CHEMBL398 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
| HSC-2 CHEMBL1075468 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.36 | 4.225 | 44000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 11400.0 | nM | 4.94 | Cytotoxicity against human HCT116 cells | 19572612 |
| HCT-116 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against Homo sapiens (human) HCT116 cells assessed as growth inhibi... | - |
| L1210 | IC50 | = | 16100.0 | nM | 4.79 | Cytotoxicity against mouse L1210 cells | 19572612 |
| HL-60 | IC50 | = | 19100.0 | nM | 4.72 | Cytotoxicity against Homo sapiens (human) HL60 cells assessed as growth inhibiti... | - |
| KB | IC50 | = | 25300.0 | nM | 4.6 | Cytotoxicity against human KB cells | 19572612 |
| HSC-2 | IC50 | = | 43000.0 | nM | 4.37 | Cytotoxicity against Homo sapiens (human) HSC2 cells assessed as growth inhibiti... | - |
| MCF7 | IC50 | = | 44000.0 | nM | 4.36 | Cytotoxicity against human MCF7 cells | 19572612 |
| MCF7 | IC50 | = | 81400.0 | nM | 4.09 | Cytotoxicity against Homo sapiens (human) MCF7 cells assessed as growth inhibiti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572612 | 10.1021/np900192r | HCT-116 | 1 |
| 19572612 | 10.1021/np900192r | L1210 | 1 |
| 19572612 | 10.1021/np900192r | KB | 1 |
| 19572612 | 10.1021/np900192r | MCF7 | 1 |
| 19572612 | 10.1021/np900192r | Bcl-2-like protein 1 | 1 |
| - | 10.1007/s00044-012-0354-x | HCT-116 | 1 |
| - | 10.1007/s00044-012-0354-x | HL-60 | 1 |
| - | 10.1007/s00044-012-0354-x | HSC-2 | 1 |
| - | 10.1007/s00044-012-0354-x | MCF7 | 1 |
| - | 10.1007/s00044-012-0354-x | Vero | 1 |
Data from ChEMBL 36 via Core Engine