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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274619
CHEMBL274619
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20N8O5

Additional synonyms for CHEMBL274619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1
Standard InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-1 ...
Download InChI
Standard InChI Key TVZGACDUOSZQKY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274619

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
440.4 440.1557 -0.24 9 219.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 13 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.47 5.46 -.93 -5.6 3 32 0.25

Structural Alerts

There are 3 structural alerts for CHEMBL274619. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVZGACDUOSZQKY-UHFFFAOYSA-N
PubChem SID: 104171101 SID: 124879112 SID: 124879113 SID: 26747419 SID: 26753506 SID: 50105754 SID: 57264276 SID: 85230896 SID: 90341578
Wikipedia Aminopterin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274619



Brenda 49686 91648
eMolecules 477167
Human Metabolome Database HMDB0001833
IBM Patent System 4EC66AA92AFDCDF493ECB5169DC81725
MolPort MolPort-001-684-171
Nikkaji J1.107.429D
PharmGKB PA165109541
PubChem 2154
PubChem: Thomson Pharma 15477678
SureChEMBL SCHEMBL8887

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