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Compound Detail

CHEMBL2348810

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C[C@H](Oc1cccc2ccccc12)C(=O)N(C)c1ccc2oc(-c3cncs3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348810
Phase Preclinical
Structure Type MOL
InChI Key LDHSBRXXLVRYKA-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.53
ALogP
6
HBA
0
HBD
68.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O3S
MW 429.50
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
23668331 10.1021/jm400241j Inosine-5'-monophosphate dehydrogenase 2
23668331 10.1021/jm400241j Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine