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Compound Detail

CHEMBL139514

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NCC1N=C(c2ccccc2F)c2ccccc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139514
Phase Preclinical
Structure Type MOL
InChI Key QTBGNRLZRPYIRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
1.94
ALogP
3
HBA
2
HBD
67.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14FN3O
MW 283.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.42

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