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

CHEMBL79377

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
COc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL79377
Phase Preclinical
Structure Type MOL
InChI Key UFAWFNLKKMDVPJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.20
ALogP
8
HBA
1
HBD
84.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O5
MW 399.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 830.0 nM 6.08 In vitro inhibition of c-src tyrosine kinase. 11078204

Literature References

PubMed DOI Target Context # Activities
11078204 10.1016/s0960-894x(00)00493-5 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine