Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3421844

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(NC(=O)[C@H]1[C@@H]2CNC[C@@H]21)c1noc2c(F)cccc12

Basic Information

ChEMBL ID CHEMBL3421844
Phase Preclinical
Structure Type MOL
InChI Key WAEYURGKDVTCPM-IAZYJMLFSA-N
1
Targets
7
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.78
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18FN3O2
MW 303.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.75

Activity Summary

Ki 4 meas. best 7.33
EC50 3 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 8.92 8.92 1.2 3
Somatostatin receptor type 4
CHEMBL1853
Ki 7.33 7.33 46.2 4

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.167 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25699156 10.1021/ml500538a Somatostatin receptor type 4 2
25699156 10.1021/ml500538a Liver microsome 1
25699156 10.1021/ml500538a Somatostatin receptor type 5 1
25699156 10.1021/ml500538a Somatostatin receptor type 3 1
25699156 10.1021/ml500538a Somatostatin receptor type 2 1
25699156 10.1021/ml500538a Somatostatin receptor type 1 1

Data from ChEMBL 36 via Core Engine