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Compound Detail

CHEMBL1727807

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CCCCNc1ccc2c(c1)C1CC2CCN1C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1727807
Phase Preclinical
Structure Type MOL
InChI Key RDJMQSPYRINBCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
5.47
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O2
MW 364.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine