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Compound Detail

CHEMBL4463413

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O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463413
Phase Preclinical
Structure Type MOL
InChI Key DDMLDBPWJGUJHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
2.11
ALogP
6
HBA
2
HBD
116.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O5S
MW 397.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
31415980 10.1016/j.ejmech.2019.111563 72 kDa type IV collagenase 2
31415980 10.1016/j.ejmech.2019.111563 Matrix metalloproteinase-9 2

Data from ChEMBL 36 via Core Engine