| PUBCHEM ID |
91826946
|
| UNII |
2LN88S7R9P
|
| Preferred Term |
TEDIZOLID O-SULFATE
|
| CAS |
|
| INCHIKEY |
MKIZWRLAJVFILT-GFCCVEGCSA-N
|
| Download |
mol2, pdbqt
|
| mol2 |
|
| Smiles |
Cn1nnc(-c(cc2)ncc2-c(ccc(N(C[C@H](COS(O)(=O)=O)O2)C2=O)c2)c2F)n1
|
| Total Surface Area |
305,13
|
| Relative PSA |
0,42284
|
| TPSA |
158,01
|
| cLogS |
-3,018
|
| MW |
450,406
|
| cLogP |
-0,2079
|
| H-Acceptors |
12
|
| H-Donors |
1
|
| Ro5 violations |
1
|
| Druglikeness |
-7,5387
|
| DrugScore |
0,385393413085482
|
| Mutagenic |
none
|
| Tumorigenic |
none
|
| Reproductive Effective |
none
|
| Irritant |
none
|
| Blood-Brain Barrier |
BBB+
|
| Human Intestinal Absorption |
HIA+
|
| Caco-2 Permeability I |
Caco2-
|
| Caco-2 Permeability II |
0,4349
|
| P-glycoprotein Substrate |
Non-substrate
|
| P-glycoprotein Inhibitor I |
Non-inhibitor
|
| P-glycoprotein Inhibitor II |
Non-inhibitor
|
| Renal Organic Cation Transporter |
Non-inhibitor
|
| Subcellular localization |
Mitochondria
|
| CYP450 2C9 Substrate |
Non-substrate
|
| CYP450 2D6 Substrate |
Non-substrate
|
| CYP450 3A4 Substrate |
Substrate
|
| CYP450 1A2 Inhibitor |
Non-inhibitor
|
| CYP450 2C9 Inhibitor |
Non-inhibitor
|
| CYP450 2D6 Inhibitor |
Non-inhibitor
|
| CYP450 2C19 Inhibitor |
Non-inhibitor
|
| CYP450 3A4 Inhibitor |
Inhibitor
|
| CYP Inhibitory Promiscuity |
High CYP Inhibitory Promiscuity
|
| Human Ether-a-go-go-Related Gene Inhibition I |
Weak inhibitor
|
| Human Ether-a-go-go-Related Gene Inhibition II |
Inhibitor
|
| AMES Toxicity |
Non AMES toxic
|
| Carcinogens |
Carcinogens
|
| Fish Toxicity I |
High FHMT
|
| Fish Toxicity II |
1,3502
|
| Tetrahymena Pyriformis Toxicity I |
High TPT
|
| Tetrahymena Pyriformis Toxicity II |
0,5607
|
| Tetrahymena Pyriformis Toxicity |
Low HBT
|
| Biodegradation |
Not ready biodegradable
|
| Acute Oral Toxicity |
III
|
| Rat Acute Toxicity |
2,5836
|
| Carcinogenicity (Three-class) |
Non-required
|
