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

CHEMBL26559

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
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26559
Phase Preclinical
Structure Type MOL
InChI Key QZTWUDDGLIDXSE-UHFFFAOYSA-N
10
Targets
14
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
4.19
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O
MW 262.31
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness 0.69

Activity Summary

IC50 14 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 8.0 7.2 10.0 4
Plasmodium falciparum
CHEMBL364
 IC50 6.52 6.52 300.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.4 6.4 400.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.36 6.36 440.0 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 6.22 6.22 600.0 1
Mus musculus
CHEMBL375
 IC50 6.05 6.05 900.0 1
NCI-H69
CHEMBL614805
 IC50 5.77 5.77 1700.0 1
NCI-H460
CHEMBL396
 IC50 5.58 5.58 2600.0 1
NCI-H417
CHEMBL613517
 IC50 5.46 5.46 3500.0 1
NCI-H358
CHEMBL614135
 IC50 5.25 5.25 5600.0 1

Pharmacokinetic Data

Parameter Value Units Species
Ka - - -
Ka 107.0 10'5/M -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibitory concentration against IL-3 independent Ba/F3 Kit cell line with SCF (... 16190746
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibitory concentration against IL-3 independent Ba/F3 Kit D816V cell line 16190746
Plasmodium falciparum IC50 = 300.0 nM 6.52 Antiplasmodial activity against Plasmodium falciparum 24813729
Mast/stem cell growth factor receptor Kit IC50 = 400.0 nM 6.4 Inhibitory concentration against c-Kit wild type expressed in recombinant baculo... 16190746
Mast/stem cell growth factor receptor Kit IC50 = 400.0 nM 6.4 Inhibitory concentration against c-Kit D816V type expressed in recombinant bacul... 16190746
Fibroblast growth factor receptor 3 IC50 = 400.0 nM 6.4 Inhibitory activity against Fibroblast growth factor receptor 3 16190746
NON-PROTEIN TARGET IC50 = 440.0 nM 6.36 Cytotoxicity against mouse Sarcoma 180 cells assessed as reduction in cell viabi... 28063783
Platelet-derived growth factor receptor alpha IC50 = 600.0 nM 6.22 Inhibitory activity against Platelet-derived growth factor receptor alpha 16190746
Mus musculus IC50 = 900.0 nM 6.05 Cytotoxicity against mouse NIH/3T3 cells assessed as reduction in cell viability... 28063783
NCI-H69 IC50 = 1700.0 nM 5.77 Cytotoxicity against H69 human lung cancer cell line 1479585
NCI-H460 IC50 = 2600.0 nM 5.58 Cytotoxicity against H 460 human lung cancer cell line 1479585
NCI-H417 IC50 = 3500.0 nM 5.46 Cytotoxicity against N 417 human lung cancer cell line 1479585
NCI-H358 IC50 = 5600.0 nM 5.25 Cytotoxicity against H 358 human lung cancer cell line 1479585

Literature References

PubMed DOI Target Context # Activities
7265115 10.1021/jm00135a010 Mus musculus 23
3385725 10.1021/jm00402a007 Mus musculus 6
16190746 10.1021/jm050231m Mast/stem cell growth factor receptor Kit 4
8035425 10.1021/jm00040a010 Homo sapiens 3
28063783 10.1016/j.bmc.2016.12.031 Unchecked 3
7265115 10.1021/jm00135a010 L1210 2
21831641 10.1016/j.bmc.2011.07.020 Escherichia coli 2
21831641 10.1016/j.bmc.2011.07.020 Staphylococcus aureus 2
4009597 10.1021/jm00383a011 L1210 2
28063783 10.1016/j.bmc.2016.12.031 NON-PROTEIN TARGET 2
1479585 10.1021/jm00104a011 NCI-H460 1
1479585 10.1021/jm00104a011 NCI-H358 1
6413693 10.1021/jm00364a015 L1210 1
1479585 10.1021/jm00104a011 NCI-H417 1
6708048 10.1021/jm00370a007 Nucleic Acid 1
8035425 10.1021/jm00040a010 Unchecked 1
1479585 10.1021/jm00104a011 NCI-H69 1
16190746 10.1021/jm050231m Fibroblast growth factor receptor 3 1
16190746 10.1021/jm050231m Platelet-derived growth factor receptor alpha 1
21831641 10.1016/j.bmc.2011.07.020 Unchecked 1

Data from ChEMBL 36 via Core Engine