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Compound Detail

CHEMBL380592

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COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)N21

Basic Information

ChEMBL ID CHEMBL380592
Phase Preclinical
Structure Type MOL
InChI Key SBBQHQRJDQHKDM-OHBKMZHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

732.8
MW (Da)
4.37
ALogP
7
HBA
5
HBD
174.7
PSA (Ų)
0.13
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H44N6O7
MW 732.84
Aromatic Rings 5
Heavy Atoms 54
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
16302807 10.1021/jm050689o Cholecystokinin receptor type A 1
16302807 10.1021/jm050689o Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine