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Compound Detail

CHEMBL262087

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O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2c([nH]1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262087
Phase Preclinical
Structure Type MOL
InChI Key IUUMJKKIODBIMG-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.22
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O3
MW 395.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
17194716 10.1124/dmd.106.013888 Lanosterol 14-alpha demethylase 1

Data from ChEMBL 36 via Core Engine