LINCOMYCIN

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Synonyms
Status
Molecule Category Free-form
ATC J01FF02
UNII BOD072YW0F
EPA CompTox DTXSID3023215

Structure

InChI Key OJMMVQQUTAEWLP-KIDUDLJLSA-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)O)N(C)C1
InChI
InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34N2O6S
Molecular Weight 406.55
AlogP -0.86
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 122.49
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -3.63--2.36
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - -
Equus caballus
- - - -
Escherichia coli
- - - - 28-85.8

Related Entries

Environmental Exposure

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

Cross References

Resources Reference
ChEBI 6472
ChEMBL CHEMBL1447
DrugBank DB01627
DrugCentral 1582
FDA SRS BOD072YW0F
Guide to Pharmacology 10941
KEGG C06812
PDB 3QB
PubChem 3000540
SureChEMBL SCHEMBL4010
ZINC ZINC000003982483
CONTENTS