Compound Detail
CHEMBL404520
CHLORTETRACYCLINE 💊 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@@](C)(O)[C@H]3C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL404520 |
| Name | CHLORTETRACYCLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CYDMQBQPVICBEU-XRNKAMNCSA-N |
| Therapeutic | ✓ Yes |
2
Targets
6
Activities
2
Assay Types
8
PK Parameters
20
Publications
4
Known Names
4
Indications
Molecular Properties
478.9
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 | 1950 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Eye Infections Infections Osteomyelitis
ATC Classification
A01AB21
chlortetracycline
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D06AA02
chlortetracycline
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
J01AA03
chlortetracycline
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
S01AA02
chlortetracycline
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
IC50 4 meas. best 4.0
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Protein-arginine deiminase type-4 CHEMBL6111 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 27.5 | % | Homo sapiens |
| F | 60.0 | % | Homo sapiens |
| Fu | 0.52 | - | Homo sapiens |
| Ka | 2.36 | /uM | - |
| Ka | 2.3 | /uM | - |
| MRT | 7.4 | hr | Homo sapiens |
| T1/2 | 7.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-arginine deiminase type-4 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of PAD4 by ABPP-based assay | 17964793 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of PAD4 (unknown origin) | 23421315 |
Literature References
Data from ChEMBL 36 via Core Engine