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Compound Detail

CHEMBL500224

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O=c1cc(-c2ccccc2)sn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL500224
Phase Preclinical
Structure Type MOL
InChI Key XCVACVOQHCBPPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.57
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NOS
MW 253.33
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
19101154 10.1016/j.bmc.2008.11.079 Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine