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

CHEMBL409515

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
COc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409515
Phase Preclinical
Structure Type MOL
InChI Key YGCHSLWRNLMPFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.12
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
18314943 10.1021/jm701199p TGF-beta receptor type-1 1
18314943 10.1021/jm701199p NON-PROTEIN TARGET 1
18314943 10.1021/jm701199p NIH3T3 1

Data from ChEMBL 36 via Core Engine