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

CHEMBL4227500

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
COC(=N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227500
Phase Preclinical
Structure Type MOL
InChI Key WGGBLQQALLUGOY-UHFFFAOYSA-N
Parent Compound CHEMBL4299804
Active Moiety CHEMBL4299804
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
4.59
ALogP
3
HBA
1
HBD
46.2
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 C18H16ClNO2
MW 313.78
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
29567345 10.1016/j.bmcl.2018.03.025 Plasmodium falciparum 1
29567345 10.1016/j.bmcl.2018.03.025 Ribosyldihydronicotinamide dehydrogenase [quinone] 1

Data from ChEMBL 36 via Core Engine