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Compound Detail

CHEMBL1626646

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N#CN/C(=N\CCCCCCOc1ccc(Cl)cc1)Nc1cc[n+](COC(=O)OCCCCCCCCCN)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1626646
Phase Preclinical
Structure Type MOL
InChI Key AADBERPRDIDOFO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.2
MW (Da)
5.91
ALogP
7
HBA
3
HBD
134.9
PSA (Ų)
0.03
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44ClN6O4+
MW 588.17
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine