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Compound Detail

CHEMBL162600

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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NC(Cc1ccccc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162600
Phase Preclinical
Structure Type MOL
InChI Key OOZLCQUTVAREEH-CGAIIQECSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

535.6
MW (Da)
2.71
ALogP
5
HBA
5
HBD
155.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N5O5
MW 535.65
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.49

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
3560164 10.1021/jm00387a027 Cholecystokinin receptor 1

Data from ChEMBL 36 via Core Engine