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Compound Detail

CHEMBL4075824

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COc1ccc(CCN(Cc2ccc3c(n2)C=CC(C)(C)O3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075824
Phase Preclinical
Structure Type MOL
InChI Key IMPNFMXRDLLSTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
4.73
ALogP
8
HBA
0
HBD
96.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34N2O7S
MW 554.67
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine