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Compound Detail

CHEMBL1183306

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C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183306
Phase Preclinical
Structure Type MOL
InChI Key KJKAYCQJTLWQKJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.7
MW (Da)
6.69
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39N2O+
MW 443.66
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine