Compound Detail
CHEMBL1237124
MECLOCYCLINE 🧪 Phase II
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🧪 Phase II
C=C1c2c(Cl)ccc(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
Basic Information
| ChEMBL ID | CHEMBL1237124 |
| Name | MECLOCYCLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GGQJXCQBBONZFX-IWVLMIASSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
Molecular Properties
476.9
MW (Da)
0.22
ALogP
9
HBA
6
HBD
181.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Acne Vulgaris
ATC Classification
D10AF04
meclocycline
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
Activity Summary
IC50 2 meas. best 4.21
Kd 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| microRNA 21 CHEMBL1615322 | Kd | 5.68 | 5.68 | 2100.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.24 | 5.24 | 5800.0 | 1 |
| microRNA 21 CHEMBL1615322 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| microRNA 21 | Kd | = | 2100.0 | nM | 5.68 | Binding affinity to biotinylated pre-miRNA-21 (unknown origin) by SPR analysis | 31098005 |
| Unchecked | Kd | = | 5800.0 | nM | 5.24 | Binding affinity to biotinylated pre-let-7d microRNA (unknown origin) by SPR ana... | 31098005 |
| microRNA 21 | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of Dicer mediated biotinylated pre-miRNA-21 (unknown origin) maturati... | 31098005 |
| Unchecked | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of biotinylated pre-let-7d microRNA (unknown origin) maturation prein... | 31098005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 31098005 | 10.1021/acsmedchemlett.9b00091 | microRNA 21 | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 31098005 | 10.1021/acsmedchemlett.9b00091 | Unchecked | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Vascular endothelial growth factor receptor 2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine