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Compound Detail

CHEMBL344843

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O=C(NO)[C@H]1CN(C(=O)C2CC2)CC[C@@H]1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL344843
Phase Preclinical
Structure Type MOL
InChI Key SXUMCLTUZSYGJQ-FPOVZHCZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
3.35
ALogP
6
HBA
3
HBD
120.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O5
MW 474.52
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
14643313 10.1016/j.bmcl.2003.09.057 Disintegrin and metalloproteinase domain-containing protein 17 1
14643313 10.1016/j.bmcl.2003.09.057 Homo sapiens 1
14643313 10.1016/j.bmcl.2003.09.057 Interstitial collagenase 1
14643313 10.1016/j.bmcl.2003.09.057 72 kDa type IV collagenase 1
14643313 10.1016/j.bmcl.2003.09.057 Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine