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Compound Detail

CHEMBL4585527

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COC(=O)c1ccccc1-c1ccc(CCCc2ncc(CC(C)(C)C)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585527
Phase Preclinical
Structure Type MOL
InChI Key OFCPMDCIDZQSEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.63
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O2
MW 390.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
27491709 10.1016/j.bmcl.2016.07.056 Bombesin receptor subtype-3 2

Data from ChEMBL 36 via Core Engine