FOLIC ACID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B03BB01 V04CX02
UNII 935E97BOY8
EPA CompTox DTXSID0022519

Structure

InChI Key OVBPIULPVIDEAO-LBPRGKRZSA-N
Smiles Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N7O6
Molecular Weight 441.4
AlogP -0.04
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 213.28
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - 810 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.4-109.71
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 33
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.4-109.71
Escherichia coli
- - 810 - -
Homo sapiens
- 500 1 - 33
Mus musculus
- - - - 33.6

Related Entries

Cross References

Resources Reference
ChEBI 27470
ChEMBL CHEMBL1622
DrugBank DB00158
DrugCentral 1231
FDA SRS 935E97BOY8
Human Metabolome Database HMDB0000121
Guide to Pharmacology 4562
KEGG C00504
PDB FOL
PharmGKB PA449692
PubChem 6037
SureChEMBL SCHEMBL3876
ZINC ZINC000008577218
CONTENTS