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Compound Detail

CHEMBL3310995

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OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310995
Phase Preclinical
Structure Type MOL
InChI Key QJSIDAFXZGMWSO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
2.03
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.71
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 C15H11F4N5O
MW 353.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.81

Activity Summary

IC50 2 meas.

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
37480712 10.1016/j.ejmech.2023.115658 Cytochrome P450 3A4 1
37480712 10.1016/j.ejmech.2023.115658 Candida albicans 1

Data from ChEMBL 36 via Core Engine