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Compound Detail

CHEMBL5982295

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C1=CC2NC=C(c3nnc(SCc4ccccc4)n3CCCc3c[nH]cn3)C2C=C1

Basic Information

ChEMBL ID CHEMBL5982295
Phase Preclinical
Structure Type MOL
InChI Key KOHHPNPAOWZSBW-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
3.98
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6S
MW 416.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

EC50 1 meas. best 6.98
Ki 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.12 7.12 76.1 1
Somatostatin receptor type 3
CHEMBL2028
EC50 6.98 6.98 105.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine