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Compound Detail

CHEMBL5881132

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O=C(NO)c1cccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5881132
Phase Preclinical
Structure Type MOL
InChI Key DTIPXVWOEDGBOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.33
ALogP
6
HBA
4
HBD
133.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N5O4
MW 313.27
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 11
CHEMBL3310
 IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone deacetylase 11 IC50 = 750.0 nM 6.12 HDAC Inhibition Assays: This example describes in vitro inhibition properties of... -

Data from ChEMBL 36 via Core Engine