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

CHEMBL4575728

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
COc1ccc(C2=NN(C(C)C)C(=O)[C@@H]3CC=CC[C@H]23)cc1N1CC(C(=O)NCc2ccco2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575728
Phase Preclinical
Structure Type MOL
InChI Key YVERMARCQWRPST-FCHUYYIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.58
ALogP
6
HBA
1
HBD
87.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O4
MW 476.58
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
31327675 10.1016/j.bmc.2019.06.027 Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine