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

CHEMBL49933

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
CC1C(=O)N=CC(c2ccccc2)=C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49933
Phase Preclinical
Structure Type MOL
InChI Key IRHIZYLHZGBALP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
3.84
ALogP
1
HBA
0
HBD
29.4
PSA (Ų)
0.81
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 C18H15NO
MW 261.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
12067559 10.1016/s0960-894x(02)00243-3 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine