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Compound Detail

CHEMBL308115

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCN2C(=O)N(C(Cc3ccccc3)C(=O)O)C(=O)CC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308115
Phase Preclinical
Structure Type MOL
InChI Key WOFPEPLFRQSPDN-OBZFIXDXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

617.7
MW (Da)
3.60
ALogP
6
HBA
4
HBD
161.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H39N5O7
MW 617.70
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
11405658 10.1021/jm010813d Cholecystokinin receptor type A 1
11405658 10.1021/jm010813d Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine