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Compound Detail

CHEMBL3318311

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O=C(NCCCn1ccnc1)O[C@@H](Cn1ccnc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318311
Phase Preclinical
Structure Type MOL
InChI Key IAYURHVUHOVFID-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.78
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN5O2
MW 357.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
25033013 10.1021/jm500739f Sterol 14-alpha demethylase 2
25033013 10.1021/jm500739f Trypanosoma cruzi 2

Data from ChEMBL 36 via Core Engine