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Compound Detail

CHEMBL139165

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Clc1ccc2c(N3CCN(CN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139165
Phase Preclinical
Structure Type MOL
InChI Key QKHHJHITDHSHKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
4.99
ALogP
6
HBA
0
HBD
38.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28Cl2N6
MW 507.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
9784111 10.1021/jm9803828 Mus musculus 8
9784111 10.1021/jm9803828 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine