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Compound Detail

CHEMBL4453686

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CN(c1ccc(O)cc1)C1NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453686
Phase Preclinical
Structure Type MOL
InChI Key KPFLVPXFCITRRP-PFONDFGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.34
ALogP
5
HBA
3
HBD
81.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O3S
MW 353.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
31268308 10.1021/acs.jmedchem.9b00537 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine