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Compound Detail

CHEMBL5968049

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Fc1ccc2[nH]cc(Cc3nnc(SCc4ccccc4)n3CCCc3c[nH]cn3)c2c1

Basic Information

ChEMBL ID CHEMBL5968049
Phase Preclinical
Structure Type MOL
InChI Key DNXYGFMSFDSHKO-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
5.14
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23FN6S
MW 446.56
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.73

Activity Summary

EC50 1 meas. best 7.33
Ki 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
EC50 7.33 7.33 46.9 1
Somatostatin receptor type 4
CHEMBL1853
Ki 7.23 7.23 59.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine