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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215152
CHEMBL215152
Compound Name AZD-1152-HQPA
ChEMBL Synonyms Barasertib | AZD-1152-HQPA
Max Phase 0
Trade Names
Molecular Formula C26H30FN7O3

Additional synonyms for CHEMBL215152 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1
Standard InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23 ...
Download InChI
Standard InChI Key QYZOGCMHVIGURT-UHFFFAOYSA-N

Sources

  • K4DD Project
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215152

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
507.6 507.2394 3.5 13 128.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 8.46 3.39 2.29 4 37 0.2

Structural Alerts

There are 2 structural alerts for CHEMBL215152. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QYZOGCMHVIGURT-UHFFFAOYSA-N
PubChem SID: 103905345 SID: 50100089

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215152



BindingDB 26300
ChEBI 91367
eMolecules 32176490 25053613
EPA CompTox Dashboard DTXSID60222584
FDA SRS 29P8LWS24N
Guide to Pharmacology 5663
IBM Patent System FD5D531BAD21A6C809E27891B764D250 9940014B19CE32DE24D84B55D16A3797
LINCS LSM-1067
MolPort MolPort-006-709-654 MolPort-016-631-863
Nikkaji J2.809.313F J2.770.488C
PDBe YJA
PubChem 16007391
PubChem: Thomson Pharma 24383544
Selleck AZD1152-HQPA
SureChEMBL SCHEMBL1343965
ZINC ZINC000016697102

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