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Compound Detail

CHEMBL6032205

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Cc1cccc(CSc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1

Basic Information

ChEMBL ID CHEMBL6032205
Phase Preclinical
Structure Type MOL
InChI Key DFMIYIGMTZUMHD-UHFFFAOYSA-N
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
5.45
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN6S
MW 460.58
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.83

Activity Summary

Ki 4 meas. best 8.08
EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
Ki 8.08 8.08 8.4 1
Somatostatin receptor type 3
CHEMBL2028
EC50 8.0 8.0 10.0 1
Somatostatin receptor type 1
CHEMBL1917
Ki 5.61 5.61 2451.0 1
Somatostatin receptor type 3
CHEMBL2028
Ki 5.23 5.23 5934.0 1
Somatostatin receptor type 2
CHEMBL1804
Ki 5.09 5.09 8094.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine