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

CHEMBL3818877

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=C1C=C(Cl)C(O)(c2ccccc2)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818877
Phase Preclinical
Structure Type MOL
InChI Key TVCSVCGTOXFBLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.7
MW (Da)
3.00
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClNO2
MW 285.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00052E Unchecked 1
- 10.1039/C6MD00052E Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine