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Compound Detail

CHEMBL2348808

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CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ncccn3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348808
Phase Preclinical
Structure Type MOL
InChI Key JEMRJBHXGAQYMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
4.84
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O3
MW 410.43
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.57

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