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Compound Detail

CHEMBL5991254

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COc1cccc(CSc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL5991254
Phase Preclinical
Structure Type MOL
InChI Key SLFPAKOGLFMMSC-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
5.01
ALogP
6
HBA
2
HBD
84.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6OS
MW 458.59
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.50

Activity Summary

Ki 2 meas. best 7.78
EC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 3
CHEMBL2028
EC50 7.85 7.85 14.0 1
Somatostatin receptor type 4
CHEMBL1853
Ki 7.78 7.78 16.5 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.65 5.65 2250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine