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

CHEMBL3189342

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
Cl.Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3189342
Phase Preclinical
Structure Type MOL
InChI Key KGHQNRBNPIQHTL-GAYQJXMFSA-N
Parent Compound CHEMBL3303986
Active Moiety CHEMBL3303986
3
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.1
MW (Da)
0.88
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.57
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 C10H9BrClN5O3
MW 362.57
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.91

Activity Summary

IC50 7 meas. best 5.46
EC50 5 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.11 5.6667 782.0 3
Aminopeptidase N
CHEMBL4117
 IC50 5.46 5.46 3450.0 1
Unchecked
CHEMBL612545
 IC50 5.04 4.905 9030.0 6
ATP-dependent molecular chaperone HSP82
CHEMBL1293251
 EC50 5.03 5.03 9338.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 782.0 nM 6.11 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... -
Unchecked EC50 = 3120.0 nM 5.51 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Aminopeptidase N IC50 = 3450.0 nM 5.46 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -
Unchecked EC50 = 4180.0 nM 5.38 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked IC50 = 9030.0 nM 5.04 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -
ATP-dependent molecular chaperone HSP82 EC50 = 9338.0 nM 5.03 PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... -
Unchecked IC50 = 10510.0 nM 4.98 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 12715.0 nM 4.9 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 13010.0 nM 4.89 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 14020.0 nM 4.85 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked IC50 = 17080.0 nM 4.77 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -

Data from ChEMBL 36 via Core Engine