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Compound Detail

CHEMBL76042

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COC(=O)c1ccc2c(c1)CC(NC(=O)CCCOc1ccc(Cl)c(Cl)c1)(C(=O)OC)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76042
Phase Preclinical
Structure Type MOL
InChI Key AIXPZUCILDTLAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.3
MW (Da)
3.77
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23Cl2NO6
MW 480.34
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.76

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