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Compound Detail

CHEMBL5201133

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Basic Information

ChEMBL ID CHEMBL5201133
Phase Preclinical
Structure Type MOL
InChI Key NHUBNHMFXQNNMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

103.1
MW (Da)
1.06
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5N
MW 103.12
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
35984756 10.1021/acs.jmedchem.2c00909 HCT-116 1
35984756 10.1021/acs.jmedchem.2c00909 NCI-H522 1
38113354 10.1021/acs.jmedchem.3c01779 Histone deacetylase 8 1

Data from ChEMBL 36 via Core Engine