Compound Detail
CHEMBL1434
MINOCYCLINE 💊 Approved Drug
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💊 Approved Drug
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
Basic Information
| ChEMBL ID | CHEMBL1434 |
| Name | MINOCYCLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DYKFCLLONBREIL-KVUCHLLUSA-N |
| Therapeutic | ✓ Yes |
16
Targets
49
Activities
4
Assay Types
11
PK Parameters
20
Publications
2
Known Names
20
Indications
Molecular Properties
457.5
MW (Da)
0.19
ALogP
9
HBA
5
HBD
164.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1971 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Acne Vulgaris Bacterial Infections Infections Amyotrophic Lateral Sclerosis Arthritis, Rheumatoid Bipolar Disorder Depressive Disorder Depressive Disorder, Treatment-Resistant Heroin Dependence Hypertension Idiopathic Pulmonary Fibrosis Lichen Planus, Oral Multiple Sclerosis Neurobehavioral Manifestations Peri-Implantitis Periodontitis Pneumothorax Psychotic Disorders Psychotic Disorders Rosacea
ATC Classification
A01AB23
minocycline
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D10AF07
minocycline
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
J01AA08
minocycline
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 37 meas. best 5.58
Kd 6 meas. best 6.22
EC50 4 meas. best 6.46
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.22 | 6.032 | 597.0 | 5 |
| Klebsiella pneumoniae subsp. pneumoniae CHEMBL613207 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Enterobacter cloacae CHEMBL349 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Multidrug transporter MdfA CHEMBL4785 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.485 | 3000.0 | 2 |
| BV-2 CHEMBL614781 | IC50 | 5.31 | 4.8629 | 4900.0 | 7 |
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 5.3 | 5.2033 | 5020.0 | 6 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.03 | 4.5425 | 9420.0 | 4 |
| Albumin CHEMBL3253 | Kd | 4.92 | 4.92 | 12000.0 | 1 |
| N9 CHEMBL613516 | IC50 | 4.7 | 4.7 | 19890.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.5 | 4.4733 | 31280.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.44 | 4.44 | 36550.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.34 | 4.34 | 45680.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.2 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 1311.53 | nM | Homo sapiens |
| F | 97.5 | % | Homo sapiens |
| F | 100.0 | % | Homo sapiens |
| MRT | 22.0 | hr | Homo sapiens |
| T1/2 | 17.0 | hr | Homo sapiens |
| T1/2 | 12.0 | hr | Homo sapiens |
| T1/2 | 12.0 | hr | Homo sapiens |
| Tmax | 2.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine