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Compound Detail

CHEMBL3311224

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OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3311224
Phase Preclinical
Structure Type MOL
InChI Key WJGQBRYSRQIYNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.4
MW (Da)
4.71
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14F7N5O
MW 497.37
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
24948565 10.1016/j.bmcl.2014.05.068 Candida albicans 2
24948565 10.1016/j.bmcl.2014.05.068 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine