Genomics of Drug Sensitivity in Cancer |
PIK-93
|
Synonyms |
PIK 93, PIK93
|
Targets |
PI3Kgamma
|
Target pathway |
PI3K/MTOR signaling
|
PubCHEM ID |
6852167
|
Jsmol |
|
Download molecule |
6852167
|
PUBCHEM IUPAC INCHI |
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
|
Smiles |
ClC2(=C(S(=O)(=O)NCCO)C=C(C=1(SC(NC(=O)C)=NC=1C))C=C2)
|
Cluster number |
107
|
calculated LogS |
-4,248
|
Molecular weight |
389,883
|
calculated LogP |
2,4958
|
H-Acceptors |
7
|
H-Donors |
3
|
Ro5 violations |
0
|
Druglikeness |
3,7837
|
DrugScore |
0,571964744950463
|
Mutagenic |
none
|
Tumorigenic |
none
|
Reproductive Effective |
none
|
Irritant |
low
|
Fish Toxicity |
High FHMT
|
Fish Toxicity2 |
1,5878
|
Rat Acute Toxicity |
2,389
|
Acute Oral Toxicity |
III
|
Caco-2 Permeability |
Caco2-
|
Caco-2 Permeability2 |
0,0054
|
P-glycoprotein Substrate |
Non-substrate
|
P-glycoprotein Inhibitor |
Non-inhibitor
|
P-glycoprotein Inhibitor2 |
Non-inhibitor
|
Human Ether-a-go-go-Related Gene Inhibition |
Weak inhibitor
|
Human Ether-a-go-go-Related Gene Inhibition2 |
Non-inhibitor
|
Tetrahymena Pyriformis Toxicity |
High TPT
|
Tetrahymena Pyriformis Toxicity2 |
0,456
|
AMES Toxicity |
Non AMES toxic
|
CYP450 2C9 Substrate |
Non-substrate
|
CYP450 3A4 Substrate |
Non-substrate
|
CYP450 3A4 Inhibitor |
Inhibitor
|
CYP450 2C19 Inhibitor |
Inhibitor
|
CYP450 2C9 Inhibitor |
Inhibitor
|
CYP450 2D6 Inhibitor |
Non-inhibitor
|
CYP450 1A2 Inhibitor |
Non-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 |
Mitochondria
|
Human Intestinal Absorption |
HIA+
|
Aqueous solubility |
-3,5261
|