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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL521686
CHEMBL521686
Compound Name OLAPARIB
ChEMBL Synonyms AZD-2281 | Olaparib | AZD2281
Max Phase 0
Trade Names
Molecular Formula C24H23FN4O3

Additional synonyms for CHEMBL521686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5
Standard InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22 ...
Download InChI
Standard InChI Key FDLYAMZZIXQODN-UHFFFAOYSA-N

Molecule Features

CHEMBL521686 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL521686

Alternate Forms of Compound in ChEMBL


CHEMBL521686

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL521686. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
434.5 434.1754 2.13 4 82.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.07 - 1.45 1.45 2 32 0.8

Compound Cross References

ChemSpider ChemSpider:FDLYAMZZIXQODN-UHFFFAOYSA-N
PubChem SID: 124947876 SID: 164339421 SID: 174007124
Wikipedia Olaparib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL521686



ACToR 937799-91-2 763113-22-0
BindinDB 27566
ChEBI 83766
eMolecules 31526131
FDA SRS WOH1JD9AR8
Guide to Pharmacology 7519
IBM Patent System 456A5B05EF3FB0CB69B26289D90B2F4F
IBM Patents WO2010127190A1 WO2009129387A2 WO2010127324A2 US20090263407 WO2010144464A2 WO2010083442A1 US7449464 US20100129357 WO2009050469A1 WO2010144468A1 WO2008146035A1 US7692006 US20100298321 EP2167086A1 US20100247668 US20100226943 US20100055168 US20100210622 US20100310648 US20080200469 US20100305126 EP2212296A1 US20100098763 WO2010102160A2 US20100311751 US20100249112 US20100317680 US20100076055 WO2010127369A1 US20100227838 US20100233733 WO2010065079A2 US20100150829 WO2010138578A1 US20100190749 US20100305125 US20100305122 WO2010041051A1 EP2064189A2 US20100184750 US20100286157 WO2010138575A1 US20100280031 WO2009129385A1 WO2010065824A2 US20100298323 US20100278921 WO2010114770A1 WO2010080478A1 WO2010138588A2 WO2010127192A1 WO2008020180A2 WO2010147899A1 WO2010143074A2 WO2010138576A1 US20100152183 WO2010117668A1 WO2010080503A1 US20100104629 US20100144783 US20100063135 WO2008047082A2 US20090285881 US20100184766 WO2010127191A1 WO2010083441A2 US20100190782 US20100247669 US20100160322 WO2010127193A1 US20100184760 WO2010065825A2 US20090270617 WO2009129395A1 US20100278905 US20100323020 WO2010051043A1 US20100305112 US20100099738 US20080146575 WO2010030730A1 WO2010030739A1 WO2010065865A2 US20100055169 WO2010051042A1 US20100305118 US20100297194
LINCS LSM-1145
MolPort MolPort-009-679-395
Nikkaji J2.765.098H
PDBe 09L
PubChem 23725625
PubChem: Drugs of the Future 85197660
PubChem: Thomson Pharma 47209066
Selleck AZD2281(Olaparib)
SureChEMBL SCHEMBL426568
ZINC ZINC40430143

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FDLYAMZZIXQODN-UHFFFAOYSA-N spacer
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