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Compound Detail

CHEMBL70575

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COC(=O)C(Cc1ccccc1)N1C(=O)CC2C(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70575
Phase Preclinical
Structure Type MOL
InChI Key MEVBGKDSBORGRF-NWSXLFDYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

631.7
MW (Da)
3.69
ALogP
7
HBA
3
HBD
150.1
PSA (Ų)
0.31
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 C34H41N5O7
MW 631.73
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.42

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