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Compound Detail

CHEMBL1098602

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Fc1ccccc1NC(=S)N/N=C/c1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098602
Phase Preclinical
Structure Type MOL
InChI Key QMMIGPVOEZNIDK-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.69
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.44
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 C17H13FN4S
MW 324.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
20353152 10.1021/jm9014394 HT-29 1
20353152 10.1021/jm9014394 HeLa 1
20353152 10.1021/jm9014394 SGC-7901 1
20353152 10.1021/jm9014394 HL-60 1

Data from ChEMBL 36 via Core Engine