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Compound Detail

CHEMBL1789873

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C#CCN[C@H]1CCc2ccc(OC(=O)N(C)CCC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789873
Phase Preclinical
Structure Type MOL
InChI Key BWNGRRJLFYHENY-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.74
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.85
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 C17H22N2O2
MW 286.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine