METHACYCLINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
UNII: IR235I7C5P

Structure
InChI Key MHIGBKBJSQVXNH-IWVLMIASSA-N
Smile C=C1c2cccc(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]12
InChI
InChI=1S/C22H22N2O8/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/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N2O8
Molecular Weight 442.42
AlogP -0.44
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 3600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 2500 - - -
Unclassified protein
- 56000 9900 - 40

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6805
ChEMBL CHEMBL249837
DrugBank DB00931
DrugCentral 1727
EPA CompTox DTXSID2023272
FDA SRS IR235I7C5P
KEGG C07654
SureChEMBL SCHEMBL4014
ZINC ZINC000085650610
CONTENTS