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Compound Detail

CHEMBL1178771

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C[N+]1(C)CCC(C(=O)c2c[nH]c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178771
Phase Preclinical
Structure Type MOL
InChI Key KFKLPYXNNKLODO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.4
MW (Da)
2.84
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N2O+
MW 257.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine