TETRACYCLINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII P6R62377KV
EPA CompTox DTXSID6021321
Parent Compound: TETRACYCLINE

Structure

InChI Key XMEVHPAGJVLHIG-FMZCEJRJSA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl
InChI
InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25ClN2O8
Molecular Weight 480.9
AlogP -0.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR FDA PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 97.72-118.05
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 97.72-118.05

Cross References

Resources Reference
CAS NUMBER 64-75-5
ChEBI 27902
ChEMBL CHEMBL454950
FDA SRS P6R62377KV
KEGG C06570
PDB TAC
SureChEMBL SCHEMBL34248
ZINC ZINC84441937
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