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Compound Detail

CHEMBL1773881

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COc1cccc(-c2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cnc2-c2ccc(C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1773881
Phase Preclinical
Structure Type MOL
InChI Key KYRDUCOAFFKEFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
6.85
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H31N3O2
MW 513.64
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
21493064 10.1016/j.bmcl.2011.03.069 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine