ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14830
CHEMBL14830
Compound Name ADENOSINE DIPHOSPHATE
ChEMBL Synonyms ADP
Max Phase 0
Trade Names
Molecular Formula C10H15N5O10P2

Additional synonyms for CHEMBL14830 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17 ...
Download InChI
Standard InChI Key XTWYTFMLZFPYCI-KQYNXXCUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14830

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
427.2 427.0294 -2.24 6 252.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 6 2 15 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.39 3.82 -2.69 -7.69 2 27 0.27

Structural Alerts

There are 10 structural alerts for CHEMBL14830. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XTWYTFMLZFPYCI-KQYNXXCUSA-N
PubChem SID: 26514302 SID: 26754280 SID: 26756677
Wikipedia Adenosine_diphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14830



ACToR 18389-49-6
BindingDB 31995 50368125
Brenda 7140 58917 92424 23600 13638 91791 2539 13
ChEBI 16761
eMolecules 474954
FDA SRS 61D2G4IYVH
Guide to Pharmacology 1712
Human Metabolome Database HMDB0001341
IBM Patent System 4A53D08F05B50D4D1035751A9C9532A2
KEGG Ligand C00008
Metabolights MTBLC16761
MolPort MolPort-003-925-185
Nikkaji J10.683F
PDBe ADP
PubChem 6022
PubChem: Thomson Pharma 15152710
SureChEMBL SCHEMBL18076199 SCHEMBL24103
ZINC ZINC000012360703

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