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Compound Detail

CHEMBL4534009

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Basic Information

ChEMBL ID CHEMBL4534009
Phase Preclinical
Structure Type MOL
InChI Key ZIRGWUZHKJDYKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

110.1
MW (Da)
1.01
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H2N2S
MW 110.14
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -1.77

Pharmacokinetic Data

Parameter Value Units Species
T1/2 8.0 hr -
T1/2 1.0 hr -

Literature References

PubMed DOI Target Context # Activities
30881613 10.1039/C8MD00327K No relevant target 3
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