CREATININE

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Synonyms
Status
Molecule Category Free-form
UNII AYI8EX34EU
EPA CompTox DTXSID8045987

Structure

InChI Key DDRJAANPRJIHGJ-UHFFFAOYSA-N
Smiles CN1CC(=O)NC1=N
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N3O
Molecular Weight 113.12
AlogP -1.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 58.69
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.64-105.71
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 13.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.64-105.71
Homo sapiens
- - - - 13.3

Cross References

Resources Reference
ChEBI 16737
ChEMBL CHEMBL65567
DrugBank DB11846
FDA SRS AYI8EX34EU
Human Metabolome Database HMDB0000562
KEGG C00791
PubChem 588
SureChEMBL SCHEMBL16295
ZINC ZINC000000967189
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