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Compound Detail

CHEMBL387393

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O=c1cc(CSc2nnc(O)n2C2Cc3ccccc3C2)c2ccc(O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387393
Phase Preclinical
Structure Type MOL
InChI Key GFFMZZDAEHTERW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.43
ALogP
8
HBA
2
HBD
101.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O4S
MW 407.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
15566299 10.1021/jm049933m NAD-dependent protein deacetylase sirtuin-2 1
22027102 10.1016/j.ejmech.2011.10.006 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine