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

CHEMBL97198

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
COc1ccccc1OCCNC(C)C(=O)N1CCCSc2c1cnn(C)c2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97198
Phase Preclinical
Structure Type MOL
InChI Key MNBDICNHKWTRMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
1.67
ALogP
8
HBA
1
HBD
85.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O4S
MW 418.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10089-0 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine