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Compound Detail

CHEMBL4846385

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CS(=O)(=O)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C#N)cc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846385
Phase Preclinical
Structure Type MOL
InChI Key GXMCJQXMQXSBQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
2.41
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35N7O2S
MW 521.69
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
34413963 10.1021/acsmedchemlett.1c00328 Plasmodium falciparum 2
34413963 10.1021/acsmedchemlett.1c00328 No relevant target 1

Data from ChEMBL 36 via Core Engine