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Compound Detail

CHEMBL1098925

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COc1ccc(C)cc1NC(=S)N/N=C/c1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098925
Phase Preclinical
Structure Type MOL
InChI Key UCZYMPKKOOPEQN-UDWIEESQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.87
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4OS
MW 350.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.82

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