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Compound Detail

CHEMBL75415

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NC(=O)C1(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75415
Phase Preclinical
Structure Type MOL
InChI Key PAIBVTPLEAGCSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
3.07
ALogP
3
HBA
2
HBD
81.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20Cl2N2O3
MW 359.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.16

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