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Compound Detail

CHEMBL4445231

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O=C1Oc2ccccc2N/C1=C\C(=O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445231
Phase Preclinical
Structure Type MOL
InChI Key AILMREFCZHUPGP-NTMALXAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.85
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.39
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 C14H9NO3S
MW 271.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
31350124 10.1016/j.bmcl.2019.07.025 Mycobacterium tuberculosis 6
31268308 10.1021/acs.jmedchem.9b00537 Mitogen-activated protein kinase 10 2
31350124 10.1016/j.bmcl.2019.07.025 Vero 1
31350124 10.1016/j.bmcl.2019.07.025 Unchecked 1

Data from ChEMBL 36 via Core Engine