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Compound Detail

CHEMBL5202624

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O=C1CC2(CCN(CC(O)c3ccc(Cl)c(Cl)c3)CC2)Oc2c1ccc1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202624
Phase Preclinical
Structure Type MOL
InChI Key NZBWWFVBCJWWSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
5.68
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23Cl2NO3
MW 456.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
35091169 10.1016/j.bmc.2022.116629 Plasmodium falciparum 1
35091169 10.1016/j.bmc.2022.116629 HepG2 1
35091169 10.1016/j.bmc.2022.116629 ADMET 1

Data from ChEMBL 36 via Core Engine