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

CHEMBL5981396

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
Clc1ccc(CSc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5981396
Phase Preclinical
Structure Type MOL
InChI Key RXNXMWQDQOQTDF-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.5
MW (Da)
6.50
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24Cl2N6S
MW 511.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.64

Activity Summary

EC50 1 meas. best 7.46
Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
EC50 7.46 7.46 35.0 1
Somatostatin receptor type 4
CHEMBL1853
Ki 7.1 7.1 78.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine