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

CHEMBL191620

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=C1N(CCN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccc(Cl)cc2)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191620
Phase Preclinical
Structure Type MOL
InChI Key BPOYHJWKBMNMQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

561.5
MW (Da)
6.88
ALogP
4
HBA
0
HBD
48.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30Cl2N4O2
MW 561.51
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
15887961 10.1021/jm050033v Enterovirus 2
15887961 10.1021/jm050033v ADMET 1

Data from ChEMBL 36 via Core Engine