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Compound Detail

CHEMBL4856084

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Cc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1

Basic Information

ChEMBL ID CHEMBL4856084
Phase Preclinical
Structure Type MOL
InChI Key IWSZWDAJGJIATO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.55
ALogP
4
HBA
2
HBD
71.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O
MW 400.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34626901 10.1016/j.bmc.2021.116424 Somatostatin receptor type 2 1
34626901 10.1016/j.bmc.2021.116424 Unchecked 1
34626901 10.1016/j.bmc.2021.116424 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine