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

CHEMBL4098399

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
Cn1c(SCCCN2CC3(CCN3c3ccc(F)cc3)C2)nnc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4098399
Phase Preclinical
Structure Type MOL
InChI Key HFNDOPJMFKOOBM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.6
MW (Da)
4.07
ALogP
6
HBA
0
HBD
37.2
PSA (Ų)
0.42
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 C23H26FN5S
MW 423.56
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.75

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
29125762 10.1021/acs.jmedchem.7b01248 D(2) dopamine receptor 1
29125762 10.1021/acs.jmedchem.7b01248 D(3) dopamine receptor 1
29125762 10.1021/acs.jmedchem.7b01248 Unchecked 1

Data from ChEMBL 36 via Core Engine