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Compound Detail

CHEMBL546279

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COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL546279
Phase Preclinical
Structure Type MOL
InChI Key SOUVTLXNHPRVNY-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.69
ALogP
6
HBA
3
HBD
86.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27F2N5O2
MW 467.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine