Compound Detail
CHEMBL208654
IODMETACYCLUR Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL208654 |
| Name | IODMETACYCLUR |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIXPEINOWMVCJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
356.1
MW (Da)
-1.22
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 73000.0 | nM | 4.14 | Growth inhibition of human HeLa cells after 72 hrs by MTT assay | 18640746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759112 | 10.1021/jm060102l | Hepatitis B virus | 4 |
| 16759112 | 10.1021/jm060102l | Duck hepatitis B virus | 2 |
| 16759112 | 10.1021/jm060102l | HepG2 | 1 |
| 16759112 | 10.1021/jm060102l | Vero | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | HeLa | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MIA PaCa-2 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | SW-620 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MCF7 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine