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Compound Detail

CHEMBL3356408

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O=C(O)C[C@@H]1c2ccc(C(F)(F)F)nc2NCCN1C(=O)Cc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3356408
Phase Preclinical
Structure Type MOL
InChI Key BUUHEMAERBFGQP-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
2.81
ALogP
5
HBA
3
HBD
119.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N3O5
MW 437.37
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.78

Literature References

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

Data from ChEMBL 36 via Core Engine