| PUBCHEM ID |
119058042
|
| UNII |
ROV204583W
|
| Preferred Term |
GIVOSIRAN
|
| CAS |
1639325-43-1
|
| INCHIKEY |
|
| Download |
mol2, pdbqt
|
| mol2 |
|
| Smiles |
C[C@@H](C[C@@H](C1)O)N1C(CCCCCCCCCCC(NC(COCCC(NCCCNC(CCCCO[C@H]([C@H]([C@@H]1O)NC(C)=O)O[C@@H](CO)[C@H]1O)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]([C@H]([C@@H]1O)NC(C)=O)O[C@@H](CO)[C@H]1O)=O)=O)COCCC(NCCCNC(CCCCO[C@H]([C@H]([C@@H]1O)NC(C)=O)O[C@@H](CO)[C@H]1O)=O)=
|
| Total Surface Area |
1324,3
|
| Relative PSA |
0,36441
|
| TPSA |
596,68
|
| cLogS |
-4,524
|
| MW |
1711,01
|
| cLogP |
-2,6672
|
| H-Acceptors |
41
|
| H-Donors |
20
|
| Ro5 violations |
3
|
| Druglikeness |
-11,576
|
| DrugScore |
0,202055089975079
|
| 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 |
0,09
|
| P-glycoprotein Substrate |
Substrate
|
| P-glycoprotein Inhibitor I |
Inhibitor
|
| P-glycoprotein Inhibitor II |
Inhibitor
|
| Renal Organic Cation Transporter |
Non-inhibitor
|
| Subcellular localization |
Lysosome
|
| 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 |
1,6286
|
| Tetrahymena Pyriformis Toxicity I |
High TPT
|
| Tetrahymena Pyriformis Toxicity II |
0,3778
|
| Tetrahymena Pyriformis Toxicity |
Low HBT
|
| Biodegradation |
Not ready biodegradable
|
| Acute Oral Toxicity |
III
|
| Rat Acute Toxicity |
2,7557
|
| Carcinogenicity (Three-class) |
Non-required
|
