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

CHEMBL1576870

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
CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1576870
Phase Preclinical
Structure Type MOL
InChI Key UOLYGIMYNWWJPJ-UHFFFAOYSA-N
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
2.45
ALogP
4
HBA
1
HBD
82.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2
MW 273.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.95

Activity Summary

EC50 7 meas. best 6.89
IC50 6 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
 EC50 6.89 6.89 130.0 1
Krueppel-like factor 5
CHEMBL1293249
 IC50 6.88 6.88 133.4 1
DNA damage-inducible transcript 3 protein
CHEMBL2146304
 IC50 6.8 6.8 160.0 1
Unchecked
CHEMBL612545
 EC50 6.69 6.4367 203.0 3
Jurkat
CHEMBL397
 IC50 6.58 6.58 260.0 1
Unchecked
CHEMBL612545
 IC50 6.57 6.415 270.0 2
HEK293
CHEMBL614818
 EC50 6.35 5.82 443.4 3
HEK293
CHEMBL614818
 IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 130.0 nM 6.89 PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... -
Krueppel-like factor 5 IC50 = 133.44 nM 6.88 PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... -
DNA damage-inducible transcript 3 protein IC50 = 160.0 nM 6.8 PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... -
Unchecked EC50 = 203.0 nM 6.69 PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... -
Jurkat IC50 = 260.0 nM 6.58 PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... -
Unchecked IC50 = 270.0 nM 6.57 PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... -
HEK293 EC50 = 443.4 nM 6.35 PUBCHEM_BIOASSAY: PMA/Ionomycin induced NF-kB luciferase assay in 293- NF-kB-Luc... -
Unchecked EC50 = 470.0 nM 6.33 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... -
HEK293 IC50 = 480.0 nM 6.32 PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... -
Unchecked EC50 = 517.0 nM 6.29 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... -
HEK293 EC50 = 528.5 nM 6.28 PUBCHEM_BIOASSAY: TNF Induced NF-kB Luciferase in 293-NF-kB-Luc Stable Cells. (C... -
Unchecked IC50 = 550.0 nM 6.26 PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... -
HEK293 EC50 = 14940.0 nM 4.83 PUBCHEM_BIOASSAY: Cytotoxicity assay in HEK293 cells. (Class of assay: confirmat... -

Data from ChEMBL 36 via Core Engine