(NORTH)-METHANOCARBATHYMIDINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LTM5S02010

Structure
InChI Key NOWRLNPOENZFHP-ARHDFHRDSA-N
Smile Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O
InChI
InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16N2O4
Molecular Weight 252.27
AlogP -0.85
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 95.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 16100 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 46026
ChEMBL CHEMBL146673
FDA SRS LTM5S02010
PDB TMC
ZINC ZINC000003834174
CONTENTS