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Compound Detail

CHEMBL6027254

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Brc1cccc(CSc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL6027254
Phase Preclinical
Structure Type MOL
InChI Key RONXWIZNIIHARU-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
5.76
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23BrN6S
MW 507.46
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.65

Activity Summary

EC50 1 meas. best 7.6
Ki 1 meas. best 7.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.79 7.79 16.2 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.6 7.6 25.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine