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Compound Detail

CHEMBL3546575

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N[C@@H](C(=O)O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546575
Phase Preclinical
Structure Type MOL
InChI Key FKUPOQLQJDQIOV-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.38
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.80
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 C22H26N2O2
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.42

Data from ChEMBL 36 via Core Engine