LETEPRINIM

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NBY3IU407M

Structure
InChI Key JMPOIZCOJJMTHI-UHFFFAOYSA-N
Smile O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1
InChI
InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13N5O4
Molecular Weight 327.3
AlogP 0.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 129.97
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.44-11.46

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135395
ChEMBL CHEMBL2104345
DrugCentral 3318
EPA CompTox DTXSID00160496
FDA SRS NBY3IU407M
PubChem 132123
SureChEMBL SCHEMBL358491
ZINC ZINC000005117168
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