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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274440
CHEMBL274440
Compound Name AP-7
ChEMBL Synonyms AP-7
Max Phase 0
Trade Names
Molecular Formula C7H16NO5P

Additional synonyms for CHEMBL274440 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CCCCCP(=O)(O)O)C(=O)O
Standard InChI InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5 ...
Download InChI
Standard InChI Key MYDMWESTDPJANS-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL274440. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL274440

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
225.2 225.0766 -2.72 7 130.66 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.54 9.84 -1 -4.58 0 14 0.28

Compound Cross References

ChemSpider ChemSpider:MYDMWESTDPJANS-UHFFFAOYSA-N
PubChem SID: 50104308 SID: 50104309 SID: 514777 SID: 85230884 SID: 90340736
Wikipedia AP-7_(drug)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274440



ACToR 85797-13-3 78966-69-5
BindingDB 50002363
eMolecules 534288
IBM Patent System 2042888C543CBC02379E15EF2EA9A144
MolPort MolPort-002-514-441
Nikkaji J33.382D
PubChem 3122
PubChem: Thomson Pharma 15068517
SureChEMBL SCHEMBL154303

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