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Compound Detail

CHEMBL1197243

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C[N+]1(CCCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197243
Phase Preclinical
Structure Type MOL
InChI Key PLXASKOPCYOAAZ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.20
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N3O2+
MW 414.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine