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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

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

Structural Alerts

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

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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