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Compound Detail

CHEMBL273543

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COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273543
Phase Preclinical
Structure Type MOL
InChI Key CZJDJQPIKKCDGV-HFLBTKGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

580.6
MW (Da)
3.56
ALogP
6
HBA
3
HBD
129.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32N4O6
MW 580.64
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
11020292 10.1021/jm000959x Cholecystokinin receptor type A 1
11020292 10.1021/jm000959x Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine