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Compound Detail

CHEMBL1766014

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COC(=O)C(C)(C)C(c1ccc(Oc2ccc3ccccc3c2)cc1)n1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766014
Phase Preclinical
Structure Type MOL
InChI Key CHHVTDCSQGINRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.62
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O3
MW 400.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
21428449 10.1021/jm101583w Cytochrome P450 26A1 1

Data from ChEMBL 36 via Core Engine