Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

CISPLATIN

Unique Identifier:SPE01502107
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:293.997 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:N.N.Cl[Pt]Cl
Source:synthetic
Therapeutics:antineoplastic, convulsant
Generic_name:Cisplatin
Chemical_iupac_name:dichloroplatinum;azanide
Drug_type:Approved Drug
Pharmgkb_id:PA449014
Kegg_compound_id:C06911
Drugbank_id:APRD00359
Melting_point:270 oC
H2o_solubility:2530 mg/L
Logp:-2.19
Cas_registry_number:15663-27-1
Drug_category:Radiation-Sensitizing Agents; Antineoplastic Agents; ATC:L01XA01
Indication:For the treatment of metastatic testicular tumors, metastatic ovarian tumors and
advanced bladder cancer.
Pharmacology:Cisplatin is an antineoplastic in the class of alkylating agents and is used to
treat various forms of cancer. Alkylating agents are so named because of their
ability to add alkyl groups to many electronegative groups under conditions present
in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix
strands - directly attacking DNA. This makes the strands unable to uncoil and
separate. As this is necessary in DNA replication, the cells can no longer divide.
In addition, these drugs add methyl or other alkyl groups onto molecules where they
do not belong which in turn inhibits their correct utilization by base pairing and
causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating
agents work by three different mechanisms all of which achieve the same end result -
disruption of DNA function and cell death.
Mechanism_of_action:Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups
to DNA bases, resulting in the DNA being fragmented by repair enzymes in their
attempts to replace the alkylated bases, preventing DNA synthesis and RNA
transcription from the affected DNA, 2) DNA damage via the formation of cross-links
(bonds between atoms in the DNA) which prevents DNA from being separated for
synthesis or transcription, and 3) the induction of mispairing of the nucleotides
leading to mutations.
Organisms_affected:Humans and other mammals

Found: 204 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9750±0.0331633
Normalized OD Score: sc h 1.0033±0.00234264
Z-Score: -0.5339±0.0665116
p-Value: 0.593806
Z-Factor: -4.21931
Fitness Defect: 0.5212
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:7|B2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09749999999999999±0.00887
Plate DMSO Control (-):0.975±0.01384
Plate Z-Factor:0.9190
png
ps
pdf

DBLink | Rows returned: 302 3 4 5 Next >> 
2767 azanide; dichloroplatinum
2768 dichloroplatinum
2770 dichloroplatinum
26031 tetrachloroplatinum
61440 dipotassium tetrachloroplatinum
61441 tetrachloroplatinum

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 132 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

Service provided by the Mike Tyers Laboratory