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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284969
CHEMBL284969
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H20ClN5O4

Additional synonyms for CHEMBL284969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC4CCCC4)nc(Cl)nc23
Standard InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15 ...
Download InChI
Standard InChI Key XSMYYYQVWPZWIZ-IDTAVKCVSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL284969

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
369.8 369.1204 0.93 4 125.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.98 2.63 .42 -2.71 2 25 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL284969. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XSMYYYQVWPZWIZ-IDTAVKCVSA-N
Wikipedia CCPA_(biochemistry)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284969



ACToR 37739-05-2
BindingDB 50085658
eMolecules 535793
Guide to Pharmacology 379 374
IBM Patent System 4DD6D0E739A19803E461524387CF8BB5
MolPort MolPort-003-940-643
Nikkaji J373.039E
PubChem 123807
PubChem: Drugs of the Future 81044344
PubChem: Thomson Pharma 15077639 14926452
SureChEMBL SCHEMBL120439
ZINC ZINC03995998

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