DOXYCYCLINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Mixture
ATC A01AB22 J01AA02
UNII N12000U13O

Structure

InChI Key XQTWDDCIUJNLTR-CVHRZJFOSA-N
Smiles 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.O
InChI
InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N2O9
Molecular Weight 462.46
AlogP -0.35
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Bioactivity

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed DailyMed
Protein: Matrix metalloproteinase-1
Description: Interstitial collagenase
Organism : Homo sapiens
P03956 ENSG00000196611
Protein: Matrix metalloproteinase 7
Description: Matrilysin
Organism : Homo sapiens
P09237 ENSG00000137673
Protein: Matrix metalloproteinase 8
Description: Neutrophil collagenase
Organism : Homo sapiens
P22894 ENSG00000118113
Protein: Matrix metalloproteinase 13
Description: Collagenase 3
Organism : Homo sapiens
P45452 ENSG00000137745

Environmental Exposure

Environmental Exposure Map
Countries
India

Cross References

Resources Reference
ChEBI 60648
ChEMBL CHEMBL1200699
FDA SRS N12000U13O
Guide to Pharmacology 6464
SureChEMBL SCHEMBL3155
CONTENTS