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Compound Detail

CHEMBL297615

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NCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297615
Phase Preclinical
Structure Type MOL
InChI Key RCTWLVXHMKSTOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
4.59
ALogP
6
HBA
1
HBD
78.6
PSA (Ų)
0.42
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 C27H28Cl2N6O
MW 523.47
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.84

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