Compound Detail
CHEMBL1651649
RAMNODIGIN 🧪 Phase II
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🧪 Phase II
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)CC[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1651649 |
| Name | RAMNODIGIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LDZRENBZALBYIS-XZUAUHNRSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
488.7
MW (Da)
4.51
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 7.32
EC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 7.32 | 7.285 | 48.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | EC50 | = | 3.8 | nM | 8.42 | Antiviral activity against Human cytomegalovirus Towne infected in HFF assessed ... | 24900847 |
| NCI-H460 | IC50 | = | 47.98 | nM | 7.32 | Cytotoxicity against human NCI-H460 cell assessed as cell death after 12 hrs by ... | 21660118 |
| NCI-H460 | IC50 | = | 51.73 | nM | 7.29 | Induction of apoptosis in human NCI-H460 cells in serum free medium after 12 hrs... | 21572583 |
| NCI-H460 | IC50 | = | 52.0 | nM | 7.28 | Cytotoxicity in human NCI-H460 cells in serum free medium at 50 nM after 12 hrs ... | 21572583 |
| NCI-H460 | IC50 | = | 55.7 | nM | 7.25 | Cytotoxicity against human NCI-H460 cells assessed as cell death at 50 nM after ... | 21643465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21572583 | 10.1021/ml100291n | NCI-H460 | 25 |
| 21660118 | 10.1021/ml100290d | NCI-H460 | 10 |
| 21643465 | 10.1021/ml100219d | NCI-H460 | 6 |
| 24900847 | 10.1021/ml400529q | HFF | 3 |
| 21572583 | 10.1021/ml100291n | MDA-MB-435 | 2 |
| 21643465 | 10.1021/ml100219d | CAKI-1 | 1 |
| 21572583 | 10.1021/ml100291n | SK-MEL-28 | 1 |
| 21643465 | 10.1021/ml100219d | DU-145 | 1 |
| 21643465 | 10.1021/ml100219d | UO-31 | 1 |
| 21643465 | 10.1021/ml100219d | TK-10 | 1 |
| 21643465 | 10.1021/ml100219d | SN12C | 1 |
| 21643465 | 10.1021/ml100219d | RXF 393 | 1 |
| 21643465 | 10.1021/ml100219d | NON-PROTEIN TARGET | 1 |
| 24900847 | 10.1021/ml400529q | Unchecked | 1 |
| 21643465 | 10.1021/ml100219d | A498 | 1 |
| 21643465 | 10.1021/ml100219d | 786-0 | 1 |
| 21643465 | 10.1021/ml100219d | OVCAR-8 | 1 |
| 21643465 | 10.1021/ml100219d | OVCAR-3 | 1 |
| 21643465 | 10.1021/ml100219d | HCT-116 | 1 |
| 21643465 | 10.1021/ml100219d | A549 | 1 |
Data from ChEMBL 36 via Core Engine