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Compound Detail

CHEMBL5839328

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c1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL5839328
Phase Preclinical
Structure Type MOL
InChI Key BIONBJOGRGDPKU-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.00
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6S
MW 428.57
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

Ki 2 meas. best 7.68
EC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.68 7.68 20.9 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.66 7.66 21.9 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.07 5.07 8591.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine