MINOCYCLINE HYDROCHLORIDE


Trade Names	ARESTIN DYNACIN MINOCIN MINOCYCLINE HYDROCHLORIDE MINOLIRA SOLODYN XIMINO
Synonyms	Acnamino Aknemin Aknemin 50 Amzeeq Arestin Blemix 100 Blemix 50 Cyclomin Dentomycin Dynacin Minocin Minocin 50 Minocin mr Minocycline (as hydrochloride) Minocycline hcl
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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).