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Compound Detail

CHEMBL1909650

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Cc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)NC(=S)NC3=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1909650
Phase Preclinical
Structure Type MOL
InChI Key CNYMEYACNCDPOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.06
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.37
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 C20H15N3O2S
MW 361.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
22014995 10.1016/j.ejmech.2011.10.004 NON-PROTEIN TARGET 2
22014995 10.1016/j.ejmech.2011.10.004 Radical scavenging activity 1
22014995 10.1016/j.ejmech.2011.10.004 A549 1
22014995 10.1016/j.ejmech.2011.10.004 HEp-2 1
22014995 10.1016/j.ejmech.2011.10.004 HeLa 1

Data from ChEMBL 36 via Core Engine