Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL191227

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NO)c1ccc(NC(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191227
Phase Preclinical
Structure Type MOL
InChI Key QXGMQWWJCBVFOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.06
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O3
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase
CHEMBL2093865
 IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase IC50 = 210.0 nM 6.68 In vitro inhibitory concentration against histone deacetylase of DU-145 prostate... 16107152

Literature References

PubMed DOI Target Context # Activities
16107152 10.1021/jm0503749 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine