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Compound Detail

CHEMBL5290099

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Cc1ccc(/C=C2/SC(c3ccc(Cl)cc3)N(Nc3cc(C)c4ccccc4n3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5290099
Phase Preclinical
Structure Type MOL
InChI Key UDJPCJUNMLMCTJ-LFVJCYFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

472.0
MW (Da)
7.15
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22ClN3OS
MW 472.01
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
34655985 10.1016/j.ejmech.2021.113865 Plasmodium falciparum 2
34655985 10.1016/j.ejmech.2021.113865 Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine