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Compound Detail

CHEMBL2112230

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2112230
Phase Preclinical
Structure Type MOL
InChI Key QZEHJMDBYIXFQS-CCDWMCETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

590.6
MW (Da)
4.02
ALogP
7
HBA
3
HBD
167.0
PSA (Ų)
0.28
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 C30H34N6O7
MW 590.64
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.80

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