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Compound Detail

CHEMBL4868777

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Cc1cc(C)cc(-c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1

Basic Information

ChEMBL ID CHEMBL4868777
Phase Preclinical
Structure Type MOL
InChI Key BMJNCZVLDGKCIN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
5.58
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3
MW 385.56
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.45

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
EC50 9.0 9.0 1.0 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