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Compound Detail

CHEMBL3140233

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3140233
Phase Preclinical
Structure Type MOL
InChI Key VMTSJBUQSGEHCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.8
MW (Da)
4.68
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H46N4O4+2
MW 562.76
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine