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Compound Detail

CHEMBL5275399

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c1ccc(-c2nc(CNc3ncccn3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275399
Phase Preclinical
Structure Type MOL
InChI Key XKFKBRBLLRXTMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
3.21
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4S
MW 268.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.22

Literature References

PubMed DOI Target Context # Activities
36332551 10.1016/j.ejmech.2022.114874 U-251 1
36332551 10.1016/j.ejmech.2022.114874 Unchecked 1

Data from ChEMBL 36 via Core Engine