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Compound Detail

CHEMBL4877600

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Cc1cc(=O)n2nc(C3=CCCCC3)c(-c3ccccc3)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877600
Phase Preclinical
Structure Type MOL
InChI Key RDUABGDSEXEOCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.96
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O
MW 305.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
33829783 10.1021/acs.jmedchem.0c01895 S-adenosylmethionine synthase isoform type-2 2

Data from ChEMBL 36 via Core Engine