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Compound Detail

CHEMBL76058

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O=C(CCCOc1ccc(Cl)cc1Cl)NC1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76058
Phase Preclinical
Structure Type MOL
InChI Key QEQPTQNBOWLZKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
4.44
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.77
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 C19H19Cl2NO2
MW 364.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.23

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