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Compound Detail

CHEMBL245669

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CC[N+](C)(CC)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245669
Phase Preclinical
Structure Type MOL
InChI Key LGSWRVWDOXHDMF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.65
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N3O2+
MW 402.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine