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Compound Detail

CHEMBL291186

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

Basic Information

ChEMBL ID CHEMBL291186
Phase Preclinical
Structure Type MOL
InChI Key XFKVTZSOTRVSAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
5.11
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27Cl2N5O3
MW 552.46
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.81

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