ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362598
CHEMBL362598
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H38N10O4

Additional synonyms for CHEMBL362598 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)Nc1ccc(cc1)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CCCCNC(=O)CN3C ...
Download SMILES
Standard InChI InChI=1S/C25H38N10O4/c26-24(27)32-17-9-7-16(8-10-17)21(37)30 ...
Download InChI
Standard InChI Key HLTUUXMJWBLIRW-OALUTQOASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL362598

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
542.7 542.3077 -1.21 14 219.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 8 2 14 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.15 10.17 -2.44 -4.77 1 39 0.08

Structural Alerts

There are 6 structural alerts for CHEMBL362598. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HLTUUXMJWBLIRW-OALUTQOASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362598



BindingDB 50162760
PubChem 44390015
ZINC ZINC000028340887

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