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Compound Detail

CHEMBL3237536

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Fc1cc(Cl)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237536
Phase Preclinical
Structure Type MOL
InChI Key NACOLYZTDDIYOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
3.85
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H6ClF2N5S
MW 349.75
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.62

Literature References

PubMed DOI Target Context # Activities
24681981 10.1016/j.ejmech.2014.03.046 NON-PROTEIN TARGET 4
24681981 10.1016/j.ejmech.2014.03.046 NCI-H157 4
24681981 10.1016/j.ejmech.2014.03.046 Leishmania major 4
24681981 10.1016/j.ejmech.2014.03.046 Acetylcholinesterase 1
24681981 10.1016/j.ejmech.2014.03.046 Cholinesterase 1
24681981 10.1016/j.ejmech.2014.03.046 Intestinal-type alkaline phosphatase 1

Data from ChEMBL 36 via Core Engine