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Compound Detail

CHEMBL26278

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CC(C)(C)OC(=O)N1CCC([C@H](C(=O)O)C(Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26278
Phase Preclinical
Structure Type MOL
InChI Key RYYDXOKNSQYIAR-CSQIJOFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.6
MW (Da)
3.67
ALogP
6
HBA
4
HBD
136.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2O7
MW 538.64
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
12657268 10.1016/s0960-894x(03)00124-0 Unchecked 1
12657268 10.1016/s0960-894x(03)00124-0 Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine