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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2152903
CHEMBL2152903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H25FN4O

Additional synonyms for CHEMBL2152903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C=C(C=C(C)C1=O)[C@@]2(N=C(N)c3c(F)cccc23)c4cccc(c4)c5cnc ...
Download SMILES
Standard InChI InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23 ...
Download InChI
Standard InChI Key TUGLMYZSOPKJOA-PMERELPUSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2152903

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
476.5 476.2012 4.36 5 71.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.73 3.97 3.97 3 36 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL2152903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TUGLMYZSOPKJOA-PMERELPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2152903



BindingDB 50393088
Guide to Pharmacology 6939
PDBe I6X
PubChem 57406537
PubChem: Thomson Pharma 136952263
SureChEMBL SCHEMBL9949092

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