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Compound Detail

CHEMBL2219581

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CO[C@@H]1CC2C[C@H](OC(c3ccccc3)c3ccccc3)CC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219581
Phase Preclinical
Structure Type MOL
InChI Key ODOVOZRQRRUTGF-KWJLTHHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
4.04
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO2
MW 337.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.91

Data from ChEMBL 36 via Core Engine