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

CHEMBL1478652

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
C/[N+]([O-])=C\c1ccc2cccc(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1478652
Phase Preclinical
Structure Type MOL
InChI Key RSUJKVFIFBVKPR-NTUHNPAUSA-N
3
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
1.50
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N2O2
MW 202.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.38

Activity Summary

IC50 8 meas. best 4.93
EC50 2 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mannose-6-phosphate isomerase
CHEMBL2758
 IC50 4.93 4.86 11831.0 2
Unchecked
CHEMBL612545
 IC50 4.71 4.475 19530.0 4
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
CHEMBL1741212
 IC50 4.65 4.65 22600.0 1
Unchecked
CHEMBL612545
 EC50 4.63 4.61 23260.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mannose-6-phosphate isomerase IC50 = 11830.95 nM 4.93 PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... -
Mannose-6-phosphate isomerase IC50 = 16378.0 nM 4.79 PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... -
Unchecked IC50 = 19530.0 nM 4.71 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 22600.0 nM 4.65 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Unchecked EC50 = 23260.0 nM 4.63 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked EC50 = 25540.0 nM 4.59 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked IC50 = 34970.0 nM 4.46 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -
Unchecked IC50 = 34830.0 nM 4.46 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 54140.0 nM 4.27 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -

Data from ChEMBL 36 via Core Engine