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Compound Detail

CHEMBL77802

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NC(=O)C1(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77802
Phase Preclinical
Structure Type MOL
InChI Key URPWBUOROXVSLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
3.60
ALogP
3
HBA
2
HBD
81.4
PSA (Ų)
0.69
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 C20H20Cl2N2O3
MW 407.30
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.77

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