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

CHEMBL6006996

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
FC(F)(F)c1cccc(CSc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL6006996
Phase Preclinical
Structure Type MOL
InChI Key DHMMKEWJQVUGEM-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
6.02
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F3N6S
MW 496.56
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 7.42
Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.58 7.58 26.4 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.42 7.42 38.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine