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Compound Detail

CHEMBL3786387

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O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786387
Phase Preclinical
Structure Type MOL
InChI Key GCDAXSQCBCUETA-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)
2.53
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.61
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 C13H10F3N3O5
MW 345.23
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
26901446 10.1021/acs.jmedchem.5b01699 Mycobacterium tuberculosis 2
26901446 10.1021/acs.jmedchem.5b01699 Leishmania infantum 1
26901446 10.1021/acs.jmedchem.5b01699 Trypanosoma cruzi 1
26901446 10.1021/acs.jmedchem.5b01699 Trypanosoma brucei 1
26901446 10.1021/acs.jmedchem.5b01699 MRC5 1

Data from ChEMBL 36 via Core Engine