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Compound Detail

CHEMBL47163

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Clc1ccc2c(N3CCCNCCN(c4ccnc5cc(Cl)ccc45)CCCNCC3)ccnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47163
Phase Preclinical
Structure Type MOL
InChI Key BMCBCIKZJCWYCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
5.38
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.37
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32Cl2N6
MW 523.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
11356101 10.1021/jm001096a MRC5 4
11356101 10.1021/jm001096a ADMET 3
11356101 10.1021/jm001096a Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine