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Compound Detail

CHEMBL162388

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CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162388
Phase Preclinical
Structure Type BOTH
InChI Key SIWKJSQISPNWDG-IHRRRGAJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
-0.76
ALogP
6
HBA
5
HBD
164.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4O5S
MW 410.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.01

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