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Compound Detail

CHEMBL2221044

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CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221044
Phase Preclinical
Structure Type MOL
InChI Key SPBJYMYEKPAPLH-NSISKUIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.10
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO3
MW 353.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine