MINOCYCLINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 0020414E5U
EPA CompTox DTXSID8044545
Parent Compound: MINOCYCLINE

Structure

InChI Key GLMUAFMGXXHGLU-VQAITOIOSA-N
Smiles CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl
InChI
InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28ClN3O7
Molecular Weight 493.94
AlogP 0.19
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 164.63
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR KEGG PubMed
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
- - - - 96.34-100.69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 96.34-100.69
Plasmodium falciparum
- 794.33-794.33 - - -

Cross References

Resources Reference
ChEBI 50697
ChEMBL CHEMBL1200881
FDA SRS 0020414E5U
KEGG C07225
SureChEMBL SCHEMBL2537
ZINC ZINC14879992
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