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Compound Detail

CHEMBL44872

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O=C(CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCNCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44872
Phase Preclinical
Structure Type MOL
InChI Key ZBUHQKIJCFEZNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

677.7
MW (Da)
4.44
ALogP
8
HBA
2
HBD
96.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H42Cl2N8O2
MW 677.68
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.75

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