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Compound Detail

CHEMBL308117

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NC(=O)C1Cc2ccccc2CN1C(=O)CCCOc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308117
Phase Preclinical
Structure Type MOL
InChI Key WWYXICWESXOPPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
3.59
ALogP
3
HBA
1
HBD
72.6
PSA (Ų)
0.74
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 C20H20Cl2N2O3
MW 407.30
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
9873532 10.1016/s0960-894x(98)00417-x Mannose-6-phosphate isomerase 1

Data from ChEMBL 36 via Core Engine