CLINDAMYCIN HYDROCHLORIDE


Trade Names	CLEOCIN CLEOCIN HYDROCHLORIDE CLINDAMYCIN HYDROCHLORIDE
Synonyms	Antirobe Cleocin Cleocin hydrochloride Clindamycin (as hydrochloride) Clindamycin HCl Clindamycin hcl Clindamycin hydrochloride Clinsol Clintabs Dalacin c NSC-756696 Sobelin U-25179E
Status
Molecule Category	Salt-form
UNII	T20OQ1YN1W
EPA CompTox	DTXSID4045428
Parent Compound:	CLINDAMYCIN

Structure


InChI Key	AUODDLQVRAJAJM-XJQDNNTCSA-N
Smiles	CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl
InChI	InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H34Cl2N2O5S
Molecular Weight	461.45
AlogP	0.39
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	102.26
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Bacterial 70S ribosome inhibitor	INHIBITOR	PubMed DailyMed Wikipedia 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	-	-	-	-	69.97-115.18

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	69.97-115.18

Cross References

Resources	Reference
ChEMBL	CHEMBL1200588
FDA SRS	T20OQ1YN1W
PubChem	16051951
SureChEMBL	SCHEMBL3153

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).