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Compound Detail

CHEMBL1190486

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COc1cc(CNc2ccc(C(C)C)cc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190486
Phase Preclinical
Structure Type MOL
InChI Key GHWDIOCKFYFDCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.45
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO3
MW 315.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine