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

CHEMBL4161406

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
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccccc3O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161406
Phase Preclinical
Structure Type MOL
InChI Key HLTMPFPDDRPPGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
6.15
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.54
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 C27H28N2O2
MW 412.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
29649742 10.1016/j.ejmech.2018.03.023 P2X purinoceptor 7 4

Data from ChEMBL 36 via Core Engine