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Compound Detail

CHEMBL3350854

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2CN(Cc3ccccc3)C(=O)C[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350854
Phase Preclinical
Structure Type MOL
InChI Key HZERTLNBHOHXEE-PVHODMMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

545.7
MW (Da)
3.94
ALogP
5
HBA
3
HBD
106.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H39N5O4
MW 545.68
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
11708921 10.1021/jm010898i Cholecystokinin receptor type A 1
11708921 10.1021/jm010898i Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine