 Genomics of Drug Sensitivity in Cancer |
NSC-207895
|
| Synonyms |
XI-006, NSC207895
|
| Targets |
MDM4
|
| Target pathway |
p53 pathway
|
| PubCHEM ID |
42640
|
| Jsmol |
|
| Download molecule |
42640
|
| PUBCHEM IUPAC INCHI |
InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3
|
| Smiles |
O=[N+]([O-])C=3(C1(=NO[N+](=C1C(N2(CCN(C)CC2))=CC=3)[O-]))
|
| Cluster number |
145
|
| calculated LogS |
-2,647
|
| Molecular weight |
279,255
|
| calculated LogP |
-0,4824
|
| H-Acceptors |
9
|
| H-Donors |
0
|
| Ro5 violations |
0
|
| Druglikeness |
3,2946
|
| DrugScore |
0,906573938694699
|
| Mutagenic |
none
|
| Tumorigenic |
none
|
| Reproductive Effective |
none
|
| Irritant |
none
|
| Fish Toxicity |
High FHMT
|
| Fish Toxicity2 |
1,1729
|
| Rat Acute Toxicity |
2,5343
|
| Acute Oral Toxicity |
III
|
| Caco-2 Permeability |
Caco2-
|
| Caco-2 Permeability2 |
0,9086
|
| P-glycoprotein Substrate |
Substrate
|
| P-glycoprotein Inhibitor |
Non-inhibitor
|
| P-glycoprotein Inhibitor2 |
Non-inhibitor
|
| Human Ether-a-go-go-Related Gene Inhibition |
Strong inhibitor
|
| Human Ether-a-go-go-Related Gene Inhibition2 |
Non-inhibitor
|
| Tetrahymena Pyriformis Toxicity |
High TPT
|
| Tetrahymena Pyriformis Toxicity2 |
0,8202
|
| AMES Toxicity |
AMES toxic
|
| CYP450 2C9 Substrate |
Non-substrate
|
| CYP450 3A4 Substrate |
Substrate
|
| CYP450 3A4 Inhibitor |
Non-inhibitor
|
| CYP450 2C19 Inhibitor |
Non-inhibitor
|
| CYP450 2C9 Inhibitor |
Non-inhibitor
|
| CYP450 2D6 Inhibitor |
Non-inhibitor
|
| CYP450 1A2 Inhibitor |
Inhibitor
|
| CYP450 2D6 Substrate |
Non-substrate
|
| Biodegradation |
Not ready biodegradable
|
| Carcinogenicity (Three-class) |
Non-carcinogens
|
| Carcinogens |
Non-required
|
| Blood-Brain Barrier |
BBB+
|
| CYP Inhibitory Promiscuity |
High CYP Inhibitory Promiscuity
|
| Honey Bee Toxicity |
Low HBT
|
| Renal Organic Cation Transporter |
Non-inhibitor
|
| Subcellular localization |
Plasma membrane
|
| Human Intestinal Absorption |
HIA+
|
| Aqueous solubility |
-3,1174
|
