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Compound Detail

CHEMBL5281369

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Cc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281369
Phase Preclinical
Structure Type MOL
InChI Key XOLGYAQPQLGXGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.58
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O2
MW 400.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
34387987 10.1021/acs.jmedchem.1c00864 Cholesterol 24-hydroxylase 1
34387987 10.1021/acs.jmedchem.1c00864 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine