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Compound Detail

CHEMBL380567

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380567
Phase Preclinical
Structure Type MOL
InChI Key DPMPSXPQCRVCLR-YAORSUGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

717.8
MW (Da)
3.68
ALogP
6
HBA
6
HBD
191.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H43N7O6
MW 717.83
Aromatic Rings 5
Heavy Atoms 53
NP-Likeness -0.17

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