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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1213327
CHEMBL1213327
Compound Name COENZYME_A
ChEMBL Synonyms CoASH | Coenzyme A
Max Phase 0
Trade Names
Molecular Formula C21H36N7O16P3S

Additional synonyms for CHEMBL1213327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O ...
Download SMILES
Standard InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23- ...
Download InChI
Standard InChI Key RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1213327

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
767.5 767.1152 -2.96 18 414.79 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
21 10 3 23 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.16 3.82 -4.36 -10.72 2 48 0.05

Structural Alerts

There are 17 structural alerts for CHEMBL1213327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGJOEKWQDUBAIZ-IBOSZNHHSA-N
Wikipedia Coenzyme_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1213327



BindingDB 50367033
Brenda 31068 5141 6985 534 9541 18 610 92960
ChEBI 15346
DrugBank DB01992
FDA SRS SAA04E81UX
Guide to Pharmacology 3044
Human Metabolome Database HMDB0062184
Metabolights MTBLC15346
Nikkaji J192.630F
PDBe COA
PubChem 87642
PubChem: Thomson Pharma 16018750
SureChEMBL SCHEMBL18180012
ZINC ZINC000008551087

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