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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

Structural Alerts

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

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

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



eMolecules 477167
Human Metabolome Database HMDB01833
IBM Patent System 4EC66AA92AFDCDF493ECB5169DC81725
Nikkaji J1.107.429D
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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