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Compound Detail

CHEMBL3318818

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CS(=O)(=O)c1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318818
Phase Preclinical
Structure Type MOL
InChI Key SAEXODHLEZKYGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.57
ALogP
5
HBA
3
HBD
121.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O3S
MW 380.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
25007262 10.1021/jm500483b Trypanosoma brucei brucei 3
25007262 10.1021/jm500483b Unchecked 1
25007262 10.1021/jm500483b ADMET 1

Data from ChEMBL 36 via Core Engine