PIPEMIDIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01MB04
UNII: LT12J5HVR8

Structure
InChI Key JOHZPMXAZQZXHR-UHFFFAOYSA-N
Smile CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
InChI
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N5O3
Molecular Weight 303.32
AlogP -0.08
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.35
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 22.0

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
- - - - 112

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 75250
ChEMBL CHEMBL30116
DrugBank DB13823
DrugCentral 2184
EPA CompTox DTXSID3023479
FDA SRS LT12J5HVR8
Human Metabolome Database HMDB0041989
PubChem 4831
SureChEMBL SCHEMBL135557
ZINC ZINC000000057466
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