| PUBCHEM ID |
72710695
|
| UNII |
GXK682AKPW
|
| Preferred Term |
OLIVOMYCIN C
|
| CAS |
6988-59-6
|
| INCHIKEY |
LVQLLOXZUPHSMZ-MOZSSQLDSA-N
|
| Download |
mol2, pdbqt
|
| mol2 |
|
| Smiles |
CC(C)C(O[C@@H]([C@H](C)O[C@H](C1)O[C@H](C[C@H](O[C@H](C[C@H](O[C@@H]([C@@H](Cc2cc3cc(O[C@@H](C[C@H]4O[C@H](C[C@H]5O)O[C@H](C)[C@@H]5OC)O[C@H](C)[C@@H]4O)cc(O)c3c(O)c22)[C@@H](C([C@H]([C@@H](C)O)O)=O)OC)C2=O)O[C@@H]2C)[C@@H]2O)O[C@@H]2C)[C@@H]2O)[C@@]1(C)O
|
| Total Surface Area |
807,59
|
| Relative PSA |
0,3554
|
| TPSA |
353,27
|
| cLogS |
-7,324
|
| MW |
1155,24
|
| cLogP |
1,4067
|
| H-Acceptors |
25
|
| H-Donors |
9
|
| Ro5 violations |
3
|
| Druglikeness |
6,1482
|
| DrugScore |
9,66458497820987E-02
|
| Mutagenic |
high
|
| Tumorigenic |
none
|
| Reproductive Effective |
none
|
| Irritant |
high
|
| Blood-Brain Barrier |
BBB-
|
| Human Intestinal Absorption |
HIA-
|
| Caco-2 Permeability I |
Caco2-
|
| Caco-2 Permeability II |
-0,109
|
| P-glycoprotein Substrate |
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 |
Non-inhibitor
|
| CYP Inhibitory Promiscuity |
Low CYP Inhibitory Promiscuity
|
| Human Ether-a-go-go-Related Gene Inhibition I |
Weak inhibitor
|
| Human Ether-a-go-go-Related Gene Inhibition II |
Non-inhibitor
|
| AMES Toxicity |
Non AMES toxic
|
| Carcinogens |
Non-carcinogens
|
| Fish Toxicity I |
High FHMT
|
| Fish Toxicity II |
1,1437
|
| Tetrahymena Pyriformis Toxicity I |
High TPT
|
| Tetrahymena Pyriformis Toxicity II |
1,2987
|
| Tetrahymena Pyriformis Toxicity |
High HBT
|
| Biodegradation |
Not ready biodegradable
|
| Acute Oral Toxicity |
III
|
| Rat Acute Toxicity |
2,9348
|
| Carcinogenicity (Three-class) |
Non-required
|
