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Compound Detail

CHEMBL4796552

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Cn1cccc1C=C1C(=O)NC(=S)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796552
Phase Preclinical
Structure Type MOL
InChI Key IBCLSEAUKSTXPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
-0.06
ALogP
4
HBA
2
HBD
63.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N3O2S
MW 235.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
33135887 10.1021/acs.jmedchem.0c00766 DNA repair protein RAD52 homolog 2

Data from ChEMBL 36 via Core Engine