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

CHEMBL210833

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
COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210833
Phase Preclinical
Structure Type MOL
InChI Key FSPQCTGGIANIJZ-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.00
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O4S
MW 360.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.67

Activity Summary

IC50 5 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 7.38 6.46 42.0 2
MOLM-13
CHEMBL3706572
 IC50 6.51 6.51 310.0 1
MV4-11
CHEMBL613835
 IC50 6.49 6.48 322.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 42.0 nM 7.38 Inhibition of FLT3 16580199
MOLM-13 IC50 = 310.0 nM 6.51 Antiproliferative activity against human MOLM-13 cells assessed as cell growth i... 35339838
MV4-11 IC50 = 322.0 nM 6.49 Antiproliferative activity against human MV4-11 cells assessed as cell growth in... 35339838
MV4-11 IC50 = 340.0 nM 6.47 Antiproliferative activity against human MV4-11 cells 16580199
Receptor-type tyrosine-protein kinase FLT3 IC50 = 2900.0 nM 5.54 Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based... 20092323

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit beta 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 5 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase 4 2
23398362 10.1042/bj20121418 Aurora kinase A 2
23398362 10.1042/bj20121418 Dual specificity mitogen-activated protein kinase kinase 1 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase NLK 2
23398362 10.1042/bj20121418 Casein kinase I isoform delta 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 4 2
23398362 10.1042/bj20121418 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine