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Compound Detail

CHEMBL3237101

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N#Cc1cc(/N=N/Nc2ccc(F)c(C#N)c2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237101
Phase Preclinical
Structure Type MOL
InChI Key XZUDDRXFQNWOKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
3.82
ALogP
4
HBA
1
HBD
84.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7F2N5
MW 283.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium tuberculosis 3
24631899 10.1016/j.ejmech.2014.02.065 ADMET 1
24631899 10.1016/j.ejmech.2014.02.065 Unchecked 1

Data from ChEMBL 36 via Core Engine