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Compound Detail

CHEMBL1907727

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CN1C(=O)[C@@H](Cc2cn(Cc3ccccc3)c3ccccc23)N=C(c2ccccc2)c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907727
Phase Preclinical
Structure Type MOL
InChI Key LPEQPASJAXUBKT-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.0
MW (Da)
6.77
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H26ClN3O
MW 504.03
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.65

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