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Compound Detail

CHEMBL116887

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Cc1ccc(CSc2ncnc3c(Cc4ccc(C)cc4)ncn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116887
Phase Preclinical
Structure Type MOL
InChI Key UISZCXJPYNOCRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.62
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4S
MW 360.49
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
7658442 10.1021/jm00018a015 MDCK 3
7658442 10.1021/jm00018a015 HeLa 2
7658442 10.1021/jm00018a015 Vero 2
7658442 10.1021/jm00018a015 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine