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Compound Detail

CHEMBL5745872

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

Basic Information

ChEMBL ID CHEMBL5745872
Phase Preclinical
Structure Type MOL
InChI Key SNSJIKSKDBFWAT-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
4.79
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N6O2S
MW 486.60
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.35

Activity Summary

EC50 1 meas. best 6.21
Ki 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 6.82 6.82 152.0 1
Somatostatin receptor type 3
CHEMBL2028
EC50 6.21 6.21 613.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine