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Compound Detail

CHEMBL1650944

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CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650944
Phase Preclinical
Structure Type MOL
InChI Key IAJGGCXCYVPYCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
4.90
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO4
MW 435.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
21142106 10.1021/jm101156y Outer membrane protein MIP 1
21142106 10.1021/jm101156y Peptidyl-prolyl cis-trans isomerase FKBP1A 1

Data from ChEMBL 36 via Core Engine