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Compound Detail

CHEMBL1254794

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Clc1ccc2c(NCCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1254794
Phase Preclinical
Structure Type MOL
InChI Key YAJFWURLUAYISM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

485.1
MW (Da)
6.49
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33ClN4
MW 485.08
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
20684562 10.1021/jm1006484 Plasmodium falciparum 3
25593097 10.1016/j.bmc.2014.12.018 Plasmodium falciparum 3
20684562 10.1021/jm1006484 ADMET 2

Data from ChEMBL 36 via Core Engine