Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL338656

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338656
Phase Preclinical
Structure Type MOL
InChI Key PCHYMTHJLQQDLT-HLJLCZKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

580.6
MW (Da)
3.86
ALogP
5
HBA
4
HBD
140.8
PSA (Ų)
0.24
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 C33H32N4O6
MW 580.64
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
11020292 10.1021/jm000959x Cholecystokinin receptor type A 1
11020292 10.1021/jm000959x Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine