Compound Detail
CHEMBL1591
DEMECLOCYCLINE 💊 Approved Drug
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💊 Approved Drug
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1591 |
| Name | DEMECLOCYCLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FMTDIUIBLCQGJB-SEYHBJAFSA-N |
| Therapeutic | ✓ Yes |
2
Targets
7
Activities
1
Assay Types
5
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
464.9
MW (Da)
0.26
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 | 1960 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
D06AA01
demeclocycline
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
J01AA01
demeclocycline
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 7 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 5.73 | 5.44 | 1880.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.1 | mL.min-1.kg-1 | Homo sapiens |
| F | 66.0 | % | Homo sapiens |
| Fu | 0.59 | - | Homo sapiens |
| MRT | 17.0 | hr | Homo sapiens |
| T1/2 | 12.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine