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Compound Detail

CHEMBL434231

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CCN(CC)CNCC1CN=C(c2ccccc2F)c2ccccc2N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434231
Phase Preclinical
Structure Type MOL
InChI Key OEQQDJHWZBJNEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.37
ALogP
4
HBA
1
HBD
30.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29FN4
MW 368.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
2153212 10.1021/jm00163a069 Cholecystokinin receptor type A 1
2153212 10.1021/jm00163a069 Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine