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Compound Detail

CHEMBL2070444

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CNC(=S)N/N=C/c1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2070444
Phase Preclinical
Structure Type MOL
InChI Key AWKZSQIBUCJZFD-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
1.66
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.48
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 C12H12N4S
MW 244.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
22858101 10.1016/j.bmcl.2012.07.030 HCT-116 2
22858101 10.1016/j.bmcl.2012.07.030 SK-N-MC 2

Data from ChEMBL 36 via Core Engine