ERAVACYCLINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01AA13
UNII 07896928ZC

Structure

InChI Key HLFSMUUOKPBTSM-ISIOAQNYSA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12
InChI
InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31FN4O8
Molecular Weight 558.56
AlogP 0.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 193.73
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 620 - - -
Unclassified protein
- 620 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 620 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1951095
DrugBank DB12329
DrugCentral 5294
FDA SRS 07896928ZC
Guide to Pharmacology 10805
SureChEMBL SCHEMBL10040430
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