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

CHEMBL1907930

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
O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1Cc1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL1907930
Phase Preclinical
Structure Type MOL
InChI Key MYGYSHBRXCCKPY-QFIPXVFZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.71
ALogP
2
HBA
2
HBD
57.2
PSA (Ų)
0.53
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 C24H18FN3O
MW 383.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.24

Activity Summary

IC50 2 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor
CHEMBL2096986
IC50 4.97 4.97 10600.0 1
Cholecystokinin receptor type A
CHEMBL3501
IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2885419 10.1021/jm00390a019 Cholecystokinin receptor 1
2885419 10.1021/jm00390a019 Cholecystokinin receptor type A 1
2885419 10.1021/jm00390a019 Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine