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

CHEMBL8036

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
CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O

Basic Information

ChEMBL ID CHEMBL8036
Phase Preclinical
Structure Type MOL
InChI Key TVXMUKJNBYIOBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.40
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2
MW 343.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.69 4.69 20600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 20600.0 nM 4.69 Inhibition of BALB/MK mouse epidermal keratinocyte proliferation 8151612

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 2
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1
8151612 10.1021/jm00033a019 Platelet-derived growth factor receptor 1
8151612 10.1021/jm00033a019 Unchecked 1
20036557 10.1016/j.bmc.2009.12.023 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine