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Compound Detail

CHEMBL1189381

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CC(C)(C)c1cc(CNCCO)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189381
Phase Preclinical
Structure Type MOL
InChI Key SVERUTBRTXWUPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
3.07
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H29NO2
MW 279.42
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
21353727 10.1016/j.ejmech.2011.01.069 Unchecked 1

Data from ChEMBL 36 via Core Engine