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Compound Detail

CHEMBL4302698

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302698
Phase Preclinical
Structure Type MOL
InChI Key UQSOOAKXHWUTAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.8
MW (Da)
4.70
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H50N4O4+2
MW 554.78
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine