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Compound Detail

CHEMBL5266796

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O=C(CCCn1cc(CN2C(=O)/C(=N\O)c3cc(F)ccc32)nn1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266796
Phase Preclinical
Structure Type MOL
InChI Key SBWZWBVBCNWTLM-RGEXLXHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
0.43
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15FN6O4
MW 362.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 2
CHEMBL1937
 IC50 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 2 IC50 = 910.0 nM 6.04 Inhibition of HDAC2 (unknown origin) 32791404

Literature References

PubMed DOI Target Context # Activities
32791404 10.1016/j.ejmech.2020.112679 Histone deacetylase 2 1

Data from ChEMBL 36 via Core Engine