Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1433

DOXYCYCLINE ANHYDROUS
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
C[C@H]1c2cccc(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]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1433
Name DOXYCYCLINE ANHYDROUS
Phase Approved
Structure Type MOL
InChI Key JBIWCJUYHHGXTC-AKNGSSGZSA-N
Therapeutic ✓ Yes

Known Names

Anhydrous doxycycline Doxycycline (anhydrous)
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

444.4
MW (Da)
-0.35
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 1967
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral Parenteral

Flags

Black Box Warning Natural Product
USAN Stem -cycline
USAN Year 1966

Extended Properties

Molecular Formula C22H24N2O8
MW 444.44
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.81

Activity Summary

EC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 5.3 5.3 5000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 5000.0 nM 5.3 Antiplasmodial activity against Plasmodium falciparum K1 infected in erythrocyte... 38452406
Plasmodium falciparum EC50 = 5000.0 nM 5.3 Antiplasmodial activity against erythrocytic stage of chloroquine, pyrimethamine... 37857143

Literature References

PubMed DOI Target Context # Activities
38150960 10.1016/j.ejmech.2023.116083 Klebsiella pneumoniae 9
38150960 10.1016/j.ejmech.2023.116083 Staphylococcus aureus 4
38150960 10.1016/j.ejmech.2023.116083 Rhizopus arrhizus 4
38150960 10.1016/j.ejmech.2023.116083 Enterococcus faecium 4
38150960 10.1016/j.ejmech.2023.116083 Escherichia coli 4
38150960 10.1016/j.ejmech.2023.116083 Vibrio vulnificus 4
38150960 10.1016/j.ejmech.2023.116083 Salmonella enterica 4
38150960 10.1016/j.ejmech.2023.116083 Salmonella typhimurium 4
38150960 10.1016/j.ejmech.2023.116083 Klebsiella oxytoca 4
38150960 10.1016/j.ejmech.2023.116083 Pseudomonas aeruginosa 4
38150960 10.1016/j.ejmech.2023.116083 Acinetobacter baumannii 4
38897928 10.1021/acs.jmedchem.4c00230 Chlamydia trachomatis 3
20383151 10.1038/nchembio.345 Serine/threonine-protein kinase PLK4 3
38150960 10.1016/j.ejmech.2023.116083 Yersinia enterocolitica 2
38150960 10.1016/j.ejmech.2023.116083 Klebsiella aerogenes 2
38150960 10.1016/j.ejmech.2023.116083 Staphylococcus haemolyticus 2
38150960 10.1016/j.ejmech.2023.116083 Enterococcus faecalis 2
38452406 10.1016/j.bmc.2024.117654 Plasmodium falciparum 1
38452406 10.1016/j.bmc.2024.117654 HepG2 1
38452406 10.1016/j.bmc.2024.117654 ADMET 1

Data from ChEMBL 36 via Core Engine