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Compound Detail

CHEMBL1098601

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Cc1ccc(NC(=O)N/N=C/c2ccc3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098601
Phase Preclinical
Structure Type MOL
InChI Key GRQDJYQSINJZPN-XDHOZWIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.57
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 C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.72

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