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Compound Detail

CHEMBL3321969

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CN1CCN(c2nc3[nH]c(Nc4ccc(Br)cn4)nc3cc2F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3321969
Phase Preclinical
Structure Type MOL
InChI Key NUFNBSSCCXOVEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
2.75
ALogP
6
HBA
2
HBD
73.0
PSA (Ų)
0.70
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 C16H17BrFN7
MW 406.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
25007124 10.1021/jm500715u Plasmodium falciparum 2
25007124 10.1021/jm500715u Liver microsome 2
25007124 10.1021/jm500715u ADMET 2
25007124 10.1021/jm500715u Unchecked 1

Data from ChEMBL 36 via Core Engine