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Compound Detail

CHEMBL1179179

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CCN(CC)CC/C=C1/c2ccccc2COc2ccc(C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179179
Phase Preclinical
Structure Type MOL
InChI Key SAXXMFGUIXYWRS-GRSHGNNSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.44
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO3
MW 351.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine