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Compound Detail

CHEMBL309694

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COc1ccccc1C(=O)Nc1ccc(CCC(=O)Nc2ccc3c(c2)OC(C)(CCc2ccccc2)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309694
Phase Preclinical
Structure Type MOL
InChI Key ASGFOXJFULBAQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
6.64
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H32N2O5
MW 536.63
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
12852938 10.1016/s0960-894x(03)00528-6 MAC16 4
12852938 10.1016/s0960-894x(03)00528-6 MAC13 1

Data from ChEMBL 36 via Core Engine