LEVOMEFOLIC ACID

Search structure
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8S95DH25XC

Structure
InChI Key ZNOVTXRBGFNYRX-STQMWFEESA-N
Smile CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChI
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N7O6
Molecular Weight 459.46
AlogP -0.26
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 9.0
Polar Surface Area 202.77
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.23-11.09
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - 1200 -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - 121000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 15641
ChEMBL CHEMBL1231574
DrugBank DB04789
DrugCentral 4621
EPA CompTox DTXSID00185583
FDA SRS 8S95DH25XC
PDB C2F
PharmGKB PA166129561
PubChem 444412
SureChEMBL SCHEMBL79586
ZINC ZINC000002005305
CONTENTS