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Compound Detail

CHEMBL1907732

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O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907732
Phase Preclinical
Structure Type MOL
InChI Key TXXWUTGOCORANI-HHHXNRCGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

467.0
MW (Da)
6.32
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23ClN2O2
MW 466.97
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.42

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