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Compound Detail

CHEMBL4555937

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O=C1NC(N2CCOCC2)S/C1=C1\C(=O)Nc2ccc(Br)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555937
Phase Preclinical
Structure Type MOL
InChI Key IVTACBRNRGRBTR-QXMHVHEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
1.59
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14BrN3O3S
MW 396.27
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.64

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