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Compound Detail

CHEMBL1185017

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COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185017
Phase Preclinical
Structure Type MOL
InChI Key QQNWVORTUJAROO-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
3.38
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.76
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 C22H27NO4
MW 369.46
Aromatic Rings 2
Heavy Atoms 27

Data from ChEMBL 36 via Core Engine