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Compound Detail

CHEMBL1476264

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O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1476264
Phase Preclinical
Structure Type MOL
InChI Key RXUSEZZZIHWVMC-AWNIVKPZSA-N
7
Targets
21
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.7
MW (Da)
2.19
ALogP
7
HBA
2
HBD
113.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H8ClN5O3
MW 293.67
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.01

Activity Summary

EC50 18 meas. best 6.75
IC50 3 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.75 5.9977 179.0 13
Streptokinase A
CHEMBL1293228
 EC50 6.6 6.6 252.0 1
Streptococcus sp. 'group A'
CHEMBL612389
 EC50 6.52 6.52 305.0 1
Streptococcus
CHEMBL612313
 EC50 6.03 6.03 944.0 1
ATP-dependent molecular chaperone HSP82
CHEMBL1293251
 EC50 5.74 5.375 1805.0 2
Type-1 angiotensin II receptor
CHEMBL227
 IC50 5.44 5.44 3628.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
 IC50 4.85 4.85 14064.3 1
Unchecked
CHEMBL612545
 IC50 4.27 4.27 54000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 179.0 nM 6.75 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -
Streptokinase A EC50 = 252.0 nM 6.6 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Streptococcus sp. 'group A' EC50 = 305.0 nM 6.52 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Unchecked EC50 = 375.0 nM 6.43 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... -
Unchecked EC50 = 633.0 nM 6.2 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -
Unchecked EC50 = 650.0 nM 6.19 PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... -
Unchecked EC50 = 673.0 nM 6.17 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Confirm Activators of 5... -
Unchecked EC50 = 717.0 nM 6.14 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... -
Unchecked EC50 = 779.0 nM 6.11 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... -
Unchecked EC50 = 825.0 nM 6.08 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... -
Unchecked EC50 = 904.0 nM 6.04 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose HTS Response to Identify Inhibito... -
Streptococcus EC50 = 944.0 nM 6.03 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -
Unchecked EC50 = 925.0 nM 6.03 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... -
Unchecked EC50 = 1049.0 nM 5.98 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... -
ATP-dependent molecular chaperone HSP82 EC50 = 1805.0 nM 5.74 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... -
Type-1 angiotensin II receptor IC50 = 3628.0 nM 5.44 PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... -
Unchecked EC50 = 9516.0 nM 5.02 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... -
ATP-dependent molecular chaperone HSP82 EC50 = 9854.0 nM 5.01 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of... -
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 14064.32 nM 4.85 PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... -
Unchecked EC50 = 14624.0 nM 4.83 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... -

Data from ChEMBL 36 via Core Engine