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Compound Detail

CHEMBL1178571

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CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178571
Phase Preclinical
Structure Type MOL
InChI Key SIUACFTVVKAHHV-WYMPLXKRSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.7
MW (Da)
6.71
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.37
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 C31H41N2O2+
MW 473.68
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine