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Compound Detail

CHEMBL4248815

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Clc1ccc(-c2nnc(CNCC3CCNCC3)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4248815
Phase Preclinical
Structure Type MOL
InChI Key FWTLTMJAKYLVOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
2.21
ALogP
4
HBA
3
HBD
65.6
PSA (Ų)
0.79
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 C15H20ClN5
MW 305.81
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
29571157 10.1016/j.ejmech.2018.03.024 Plasmodium falciparum 5

Data from ChEMBL 36 via Core Engine