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Compound Detail

CHEMBL21770

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O=C1Nc2ccccc2C(c2ccccc2F)=NC1c1ccsc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21770
Phase Preclinical
Structure Type MOL
InChI Key BROFGDYGYPYIGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.42
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.74
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 C19H13FN2OS
MW 336.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.06

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