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Compound Detail

CHEMBL3115391

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CC(C)(C)c1ccc(C(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115391
Phase Preclinical
Structure Type MOL
InChI Key WQJPMCOZOVKSRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
6.30
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F3N3O
MW 425.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
24412111 10.1016/j.bmcl.2013.12.106 Bombesin receptor subtype-3 2
25497965 10.1016/j.bmc.2014.11.018 Bombesin receptor subtype-3 2

Data from ChEMBL 36 via Core Engine