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Compound Detail

CHEMBL4117368

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CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1/C=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117368
Phase Preclinical
Structure Type MOL
InChI Key IQUWKCQRAGMSIQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
1.83
ALogP
5
HBA
2
HBD
90.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N5O3+
MW 394.54
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine