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Compound Detail

CHEMBL228267

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Cc1cc(COc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228267
Phase Preclinical
Structure Type MOL
InChI Key HGNMRIKSORWTLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
2.46
ALogP
5
HBA
3
HBD
112.8
PSA (Ų)
0.47
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 C21H19N5O3
MW 389.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
17368021 10.1016/j.bmcl.2007.02.076 Disintegrin and metalloproteinase domain-containing protein 17 1
17368021 10.1016/j.bmcl.2007.02.076 72 kDa type IV collagenase 1
17368021 10.1016/j.bmcl.2007.02.076 Macrophage metalloelastase 1
17368021 10.1016/j.bmcl.2007.02.076 Interstitial collagenase 1
17368021 10.1016/j.bmcl.2007.02.076 Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine