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

CHEMBL1204087

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
COc1cc(C(=O)O)c(OC)cc1CC(C)N.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204087
Phase Preclinical
Structure Type MOL
InChI Key JHWIIXDCQRCYPW-UHFFFAOYSA-N
Parent Compound CHEMBL8584
Active Moiety CHEMBL8584
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
1.29
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18ClNO4
MW 275.73
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
2308135 10.1021/jm00165a023 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine