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Compound Detail

CHEMBL1795445

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Cn1cncc1-c1cc2cc3c(cc2o1)OC(C(C)(C)O)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795445
Phase Preclinical
Structure Type MOL
InChI Key KOYJTNWWQYXATJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.91
ALogP
5
HBA
1
HBD
60.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3
MW 298.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
21481991 10.1016/j.ejmech.2011.03.022 ADMET 1
21481991 10.1016/j.ejmech.2011.03.022 Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine