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Compound Detail

CHEMBL4299896

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CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4cccc(C(F)(F)F)c4)cc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299896
Phase Preclinical
Structure Type MOL
InChI Key BBKARHQVYAHHOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
7.05
ALogP
6
HBA
1
HBD
46.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F3N3O2S
MW 501.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine