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

CHEMBL101917

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
COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101917
Phase Preclinical
Structure Type MOL
InChI Key IUZCVUGIDCZCEQ-UHFFFAOYSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
5.17
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2N3O2
MW 374.23
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.39

Activity Summary

IC50 9 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 8.37 7.1513 4.3 8
Molecular identity unknown
CHEMBL612546
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 4.3 nM 8.37 Inhibition of Src protein tyrosine kinase 12941315
Proto-oncogene tyrosine-protein kinase Src IC50 = 23.0 nM 7.64 Inhibition of Src Kinase at 0.1 mM ATP 11262092
Proto-oncogene tyrosine-protein kinase Src IC50 = 30.0 nM 7.52 Inhibition against Src kinase 11689083
Proto-oncogene tyrosine-protein kinase Src IC50 = 30.0 nM 7.52 Inhibitory activity against human c-Src Kinase was measured using ELISA assay 11262092
Molecular identity unknown IC50 = 30.0 nM 7.52 Inhibition of tyrosine kinase (unknown origin) 38781921
Proto-oncogene tyrosine-protein kinase Src IC50 = 38.0 nM 7.42 Inhibition of Src protein tyrosine kinase 11814812
Proto-oncogene tyrosine-protein kinase Src IC50 = 130.0 nM 6.89 Inhibition of Src Kinase at 1 mM ATP 11262092
Proto-oncogene tyrosine-protein kinase Src IC50 = 270.0 nM 6.57 Inhibition of Src Kinase at 5 mM ATP 11262092
Proto-oncogene tyrosine-protein kinase Src IC50 = 5200.0 nM 5.28 Inhibition of Src-transformed rat fibroblast proliferation in anchorage independ... 11262092

Literature References

PubMed DOI Target Context # Activities
11262092 10.1021/jm000420z Proto-oncogene tyrosine-protein kinase Src 5
11689083 10.1021/jm0102250 Proto-oncogene tyrosine-protein kinase Src 1
11262092 10.1021/jm000420z Tyrosine-protein kinase Fyn 1
12941315 10.1016/s0960-894x(03)00628-0 Proto-oncogene tyrosine-protein kinase Src 1
11814812 10.1016/s0960-894x(01)00776-4 Proto-oncogene tyrosine-protein kinase Src 1
26039671 10.1021/acs.jmedchem.5b00108 dengue virus type 2 1
26039671 10.1021/acs.jmedchem.5b00108 ADMET 1
26039671 10.1021/acs.jmedchem.5b00108 Proto-oncogene tyrosine-protein kinase Src 1
26039671 10.1021/acs.jmedchem.5b00108 Tyrosine-protein kinase Fyn 1
38781921 10.1016/j.ejmech.2024.116364 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine