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Compound Detail

CHEMBL4740969

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Cc1cc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4740969
Phase Preclinical
Structure Type MOL
InChI Key NZFMUTIKOLTEFU-SFQUDFHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.73
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O2S
MW 361.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
33065442 10.1016/j.bmc.2020.115674 HCT-116 1
33065442 10.1016/j.bmc.2020.115674 MCF7 1
33065442 10.1016/j.bmc.2020.115674 HepG2 1
33065442 10.1016/j.bmc.2020.115674 No relevant target 1

Data from ChEMBL 36 via Core Engine