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Compound Detail

CHEMBL2221235

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CN(C)c1cc[n+](CCCCOc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221235
Phase Preclinical
Structure Type MOL
InChI Key UPFCKGGIGFFCNE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
4.35
ALogP
3
HBA
2
HBD
61.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N4O2+
MW 457.60
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine