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Compound Detail

CHEMBL99737

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Nc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99737
Phase Preclinical
Structure Type MOL
InChI Key CCJQRZIECSQVPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.34
ALogP
5
HBA
3
HBD
106.3
PSA (Ų)
0.57
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 C21H20N4O3
MW 376.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
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