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Compound Detail

CHEMBL484132

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Cn1c2nc3ccccc3c-2c(NCCN2CCCC2)c2cc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL484132
Phase Preclinical
Structure Type MOL
InChI Key YIDNXVREJFGIOS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
4.99
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN4
MW 378.91
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33479649 10.1039/D0MD00062K Unchecked 3
19364118 10.1021/jm801490z Unchecked 1
19364118 10.1021/jm801490z Nucleic Acid 1
19364118 10.1021/jm801490z Histidine-rich protein PFHRP-II 1
19364118 10.1021/jm801490z Plasmodium falciparum 1
19364118 10.1021/jm801490z ADMET 1

Data from ChEMBL 36 via Core Engine