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Compound Detail

CHEMBL275031

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O=C(NCC=C1c2ccccc2CCc2ccccc21)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275031
Phase Preclinical
Structure Type MOL
InChI Key CMBCGBMKIYHKDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
5.69
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClN2O
MW 388.90
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
1552499 10.1021/jm00084a009 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine