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Compound Detail

CHEMBL100631

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O=C(NCc1ccc(C(=O)Nc2ccccc2)cc1)OCc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100631
Phase Preclinical
Structure Type MOL
InChI Key BRGUSLXEIGNKCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.76
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O3
MW 361.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
14613312 10.1021/jm0303094 Histone deacetylase 1
10425110 10.1021/jm980565u Histone deacetylase 1
- 10.1007/s00044-011-9571-y Histone deacetylase 8 1

Data from ChEMBL 36 via Core Engine