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

CHEMBL1256723

DOXYCYCLINE HYDROCHLORIDE
🧪 Phase III
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
🧪 Phase III
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.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256723
Name DOXYCYCLINE HYDROCHLORIDE
Phase Phase III
Structure Type MOL
InChI Key RUYHIJHUVHIMIR-CVHRZJFOSA-N
Parent Compound CHEMBL1433
Active Moiety CHEMBL1433

Known Names

Doxycycline hcl Doxycycline hydrochloride NSC-756751
1
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
3
Indications

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
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -cycline

Extended Properties

Molecular Formula C22H25ClN2O8
MW 480.90
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.81

Indications

Infections Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome

Activity Summary

IC50 8 meas. best 6.1
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.1 5.4571 794.3 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 794.33 nM 6.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 1258.93 nM 5.9 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
32828421 10.1016/j.bmc.2020.115644 NAD(+) hydrolase SARM1 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
- 10.6019/CHEMBL4513149 Escherichia coli 1
- 10.6019/CHEMBL4513149 Cryptococcus neoformans 1
38387690 10.1016/j.bmcl.2024.129671 Cutibacterium acnes 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
16246547 10.1016/j.bmcl.2005.09.066 Staphylococcus aureus 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
17417631 10.1038/nchembio873 Unchecked 1
16246547 10.1016/j.bmcl.2005.09.066 Escherichia coli 1
16246547 10.1016/j.bmcl.2005.09.066 Streptomyces thermovulgaris 1
16246547 10.1016/j.bmcl.2005.09.066 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine