 Genomics of Drug Sensitivity in Cancer |
Cisplatin
|
| Synonyms |
cis-Diammineplatinum(II) dichloride, Platinol, CIS-DDP
|
| Targets |
DNA crosslinker
|
| Target pathway |
DNA replication
|
| PubCHEM ID |
84691
|
| Jsmol |
|
| Download molecule |
84691
|
| PUBCHEM IUPAC INCHI |
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
|
| Smiles |
[Pt+2].[Cl-].[Cl-].N.N
|
| Cluster number |
141
|
| calculated LogS |
-0,53
|
| Molecular weight |
195,08
|
| calculated LogP |
0
|
| H-Acceptors |
0
|
| H-Donors |
0
|
| Ro5 violations |
0
|
| Druglikeness |
-1
|
| DrugScore |
0,62087478520537
|
| Mutagenic |
none
|
| Tumorigenic |
none
|
| Reproductive Effective |
none
|
| Irritant |
none
|
| Fish Toxicity |
High FHMT
|
| Fish Toxicity2 |
1,659
|
| Rat Acute Toxicity |
2,2223
|
| Acute Oral Toxicity |
III
|
| Caco-2 Permeability |
Caco2+
|
| Caco-2 Permeability2 |
1,2711
|
| 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 |
Low TPT
|
| Tetrahymena Pyriformis Toxicity2 |
0,3866
|
| AMES Toxicity |
Non AMES toxic
|
| CYP450 2C9 Substrate |
Non-substrate
|
| CYP450 3A4 Substrate |
Non-substrate
|
| CYP450 3A4 Inhibitor |
Non-inhibitor
|
| CYP450 2C19 Inhibitor |
Non-inhibitor
|
| CYP450 2C9 Inhibitor |
Non-inhibitor
|
| CYP450 2D6 Inhibitor |
Non-inhibitor
|
| CYP450 1A2 Inhibitor |
Non-inhibitor
|
| CYP450 2D6 Substrate |
Non-substrate
|
| Biodegradation |
Ready biodegradable
|
| Carcinogenicity (Three-class) |
Carcinogens
|
| Carcinogens |
Non-required
|
| Blood-Brain Barrier |
BBB+
|
| CYP Inhibitory Promiscuity |
Low CYP Inhibitory Promiscuity
|
| Honey Bee Toxicity |
High HBT
|
| Renal Organic Cation Transporter |
Non-inhibitor
|
| Subcellular localization |
Lysosome
|
| Human Intestinal Absorption |
HIA+
|
| Aqueous solubility |
-0,4741
|
