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Compound Detail

CHEMBL2221041

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Oc1cccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221041
Phase Preclinical
Structure Type MOL
InChI Key FECKXNGJFWUHLF-KBRIMQKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.98
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3
MW 311.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.36

Data from ChEMBL 36 via Core Engine