Compound Detail
CHEMBL522648
DEHYDROMARMELINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL522648 |
| Name | DEHYDROMARMELINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDBYZGRXGDJMHH-JLHYYAGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.40
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) CHEMBL2363065 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex I (NADH dehydrogenase) | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibi... | 23434131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434131 | 10.1016/j.bmc.2013.01.048 | Unchecked | 5 |
| 18760601 | 10.1016/j.bmcl.2008.08.024 | Unchecked | 4 |
| 23434131 | 10.1016/j.bmc.2013.01.048 | Mitochondrial complex I (NADH dehydrogenase) | 2 |
Data from ChEMBL 36 via Core Engine