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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2036730
CHEMBL2036730
Compound Name
ChEMBL Synonyms AZD-3988
Max Phase 0
Trade Names
Molecular Formula C23H22F2N4O4

Additional synonyms for CHEMBL2036730 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C[C@@H]1CC[C@H](CC1)c2ccc(NC(=O)c3oc(Nc4ccc(F)c(F)c4)n ...
Download SMILES
Standard InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28 ...
Download InChI
Standard InChI Key NGEBYTLALFOQKI-HDJSIYSDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2036730

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
456.4 456.1609 4.52 7 117.35 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.73 .63 5.19 2.54 3 33 0.48

Structural Alerts

There are no structural alerts for CHEMBL2036730

Compound Cross References

ChemSpider ChemSpider:NGEBYTLALFOQKI-HDJSIYSDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2036730



BindingDB 50385398
IBM Patent System 970023DE3FF625B74A2932AAE644729D
MolPort MolPort-039-101-278
Nikkaji J3.225.618J
PubChem: Thomson Pharma 46520452
SureChEMBL SCHEMBL3543232

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