CLINDAMYCIN PHOSPHATE

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Search structure


Trade Names	CLEOCIN CLEOCIN PHOSPHATE CLEOCIN PHOSPHATE IN DEXTROSE 5% IN PLASTIC CONTAINER CLEOCIN T CLINDA-DERM CLINDAGEL CLINDAMYCIN PHOSPHATE CLINDAMYCIN PHOSPHATE IN 0.9% SODIUM CHLORIDE CLINDAMYCIN PHOSPHATE IN 5% DEXTROSE IN PLASTIC CONTAINER CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% IN PLASTIC CONTAINER CLINDESSE CLINDETS EVOCLIN
Synonyms	Cleocin Cleocin phosphate Cleocin t Clinda-derm Clindagel Clindamycin 2-dihydrogen phosphate Clindamycin phosphate Clindamycin phosphate system suitability Clindesse Clindets Dalacin Dalacin c phos Dalacin t Evoclin NSC-618653 U 28508 U-28,508 U-28508 Zindaclin
Status
Molecule Category	Free-form
UNII	EH6D7113I8
EPA CompTox	DTXSID1048677
Parent Compound:	CLINDAMYCIN


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	UFUVLHLTWXBHGZ-MGZQPHGTSA-N
Smiles	CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1
InChI	InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H34ClN2O8PS
Molecular Weight	504.97
AlogP	0.51
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	9.0
Polar Surface Area	148.79
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	31.0

Bioactivity

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

Assay Description	Organism	Bioactivity	Reference
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-3.03 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	20.99 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-0.8985 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.06 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.03 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.06 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.03 %

Cross References

Resources	Reference
ChEMBL	CHEMBL3184512
DrugCentral	3909
FDA SRS	EH6D7113I8
PubChem	443385
SureChEMBL	SCHEMBL37148
ZINC	ZINC000004102185

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).