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

CHEMBL2181040

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
CC(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(C(C)C)cc3)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181040
Phase Preclinical
Structure Type MOL
InChI Key DOPLJULUPFKXRR-KAVGSWPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
7.06
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2
MW 368.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
22913544 10.1021/jm300653b Microtubule-associated protein tau 3
22913544 10.1021/jm300653b Unchecked 1

Data from ChEMBL 36 via Core Engine