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Compound Detail

CHEMBL5948967

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c1ccc(CSc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL5948967
Phase Preclinical
Structure Type MOL
InChI Key BAHONLRXULXBDR-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.19
ALogP
5
HBA
2
HBD
75.2
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 C25H26N6S
MW 442.59
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.43

Activity Summary

Ki 3 meas. best 7.51
EC50 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 7.51 7.51 31.1 1
Somatostatin receptor type 3
CHEMBL2028
EC50 7.07 7.07 85.2 1
Somatostatin receptor type 3
CHEMBL2028
Ki 5.62 5.62 2414.0 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.39 5.39 4076.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine