Compound Detail
CHEMBL2146123
METHACYCLINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl
Basic Information
| ChEMBL ID | CHEMBL2146123 |
| Name | METHACYCLINE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VZQARNDJLLWXGL-CCHMMTNSSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL249837 |
| Active Moiety | CHEMBL249837 |
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
9
Publications
6
Known Names
1
Indications
1
Mechanisms
Molecular Properties
442.4
MW (Da)
-0.44
ALogP
9
HBA
6
HBD
181.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial 70S ribosome inhibitor | INHIBITOR | Bacterial 70S ribosome | ✓ | ✓ |
Indications
Osteomyelitis
Activity Summary
IC50 9 meas. best 6.42
EC50 5 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 7.03 | 7.03 | 93.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.0 | 7.0 | 99.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.96 | 6.96 | 109.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.42 | 5.9629 | 376.0 | 7 |
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 5.7 | 5.56 | 2000.0 | 2 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.5 | 5.2 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 6 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 22257890 | 10.1016/j.bmcl.2011.12.103 | Nucleic Acid | 1 |
| 22257890 | 10.1016/j.bmcl.2011.12.103 | No relevant target | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine