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Compound Detail

CHEMBL5769567

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c1ccc2nc(-c3nnc(SCCc4c[nH]c5ccccc45)n3CCCc3c[nH]cn3)ccc2c1

Basic Information

ChEMBL ID CHEMBL5769567
Phase Preclinical
Structure Type MOL
InChI Key OIALJTYJIVKHND-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
5.67
ALogP
6
HBA
2
HBD
88.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N7S
MW 479.61
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -1.36

Activity Summary

Ki 2 meas. best 7.56
EC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.56 7.56 27.3 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.05 7.05 89.3 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.67 5.67 2134.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine