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Compound Detail

CHEMBL4293444

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C/C(=N\NC(=S)N1CCOCC1)c1ccccc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293444
Phase Preclinical
Structure Type MOL
InChI Key VPYSBYOOVGMGHL-XNTDXEJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
1.20
ALogP
4
HBA
2
HBD
62.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N4OS
MW 278.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
30108734 10.1039/C7MD00353F MGC-803 1
30108734 10.1039/C7MD00353F MCF7 1
30108734 10.1039/C7MD00353F SMMC-7721 1

Data from ChEMBL 36 via Core Engine