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Compound InformationSONAR Target prediction
Name:

HYDROXYUREA

Unique Identifier:SPE01500344
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:72.023 g/mol
X log p:-0.956  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:NC(=O)NO
Source:synthetic
Therapeutics:antineoplastic, inhibits ribonucleoside diphosphate reductase
Generic_name:Hydroxyurea
Chemical_iupac_name:hydroxyurea
Drug_type:Approved Drug
Pharmgkb_id:PA449942
Kegg_compound_id:C07044
Drugbank_id:APRD00023
Melting_point:142-146 oC
H2o_solubility:1E+006 mg/L
Logp:-1.432
Cas_registry_number:07/01/127
Drug_category:Antisickling Agents; Antineoplastic Agents; ATC:L01A
Indication:For management of melanoma, resistant chronic myelocytic leukemia, and recurrent,
metastatic, or inoperable carcinoma of the ovary and Sickle-cell anemia.
Pharmacology:Hydroxyurea has dose-dependent synergistic activity with cisplatin in vitro.
In vivo Hydroxyurea showed activity in combination with cisplatin against the
LX-1 and CALU-6 human lung xenografts, but minimal activity was seen with the
NCI-H460 or NCI-H520 xenografts. Hydroxyurea was synergistic with cisplatin in the
Lewis lung murine xenograft. Sequential exposure to Hydroxyurea 4 hours before
cisplatin produced the greatest interaction.
Mechanism_of_action:Hydroxyurea is converted to a free radical nitroxide (NO) in vivo, and transported
by diffusion into cells where it quenches the tyrosyl free radical at the active
site of the M2 protein subunit of ribonucleotide reductase, inactivating the enzyme.
The entire replicase complex, including ribonucleotide reductase, is inactivated and
DNA synthesis is selectively inhibited, producing cell death in S phase and
synchronization of the fraction of cells that survive. Repair of DNA damaged by
chemicals or irradiation is also inhibited by hydroxyurea, offering potential
synergy between hydroxyurea and radiation or alkylating agents. Hydroxyurea also
increases the level of fetal hemoglobin, leading to a reduction in the incidence of
vasoocclusive crises in sickle cell anemia. Levels of fetal hemoglobin increase in
response to activation of soluble guanylyl cyclase (sGC) by hydroxyurea-derived NO.
Organisms_affected:Humans and other mammals

Found: 9 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 Next >> 
Species: 4932
Condition: SPE01500325
Replicates: 2
Raw OD Value: r im 0.3288±0
Normalized OD Score: sc h 0.4905±0
Z-Score: -15.3542±0
p-Value: 0
Z-Factor: 0.830401
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|H10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00444
Plate DMSO Control (-):0.67035±0.01920
Plate Z-Factor:0.8868
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DBLink | Rows returned: 2
3657 hydroxyurea
450684 hydroxyurea

internal high similarity DBLink | Rows returned: 1
LOPAC 00959 1.0000

active | Cluster 585 | Additional Members: 3 | Rows returned: 1
LOPAC 00959 0

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