CLINDAMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D10AF01 G01AA10 J01FF01
UNII 3U02EL437C
EPA CompTox DTXSID2022836

Structure

InChI Key KDLRVYVGXIQJDK-AWPVFWJPSA-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
InChI
InChI=1S/C18H33ClN2O5S/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)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H33ClN2O5S
Molecular Weight 424.99
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 19.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Balamuthia mandrillaris
- - - - 0-16
Bos taurus
- - - - 28
Homo sapiens
- - - - 19.5
Plasmodium falciparum
- 1.3-450 - - -
Plasmodium falciparum 3D7
- 8.81 - - -

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia

Cross References

Resources Reference
ChEMBL CHEMBL1753
DrugBank DB01190
DrugCentral 678
FDA SRS 3U02EL437C
Guide to Pharmacology 10607
PDB CLY
PubChem 446598
SureChEMBL SCHEMBL3154
ZINC ZINC000004038341
CONTENTS