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Compound Detail

CHEMBL163210

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

Basic Information

ChEMBL ID CHEMBL163210
Phase Preclinical
Structure Type BOTH
InChI Key BHNIQXDMMGMHIT-GOTSBHOMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

564.6
MW (Da)
1.05
ALogP
6
HBA
6
HBD
184.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N6O6
MW 564.64
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.55

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