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Compound Detail

CHEMBL5028123

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c1ccc(C[n+]2ccc3[nH]c4ccccc4c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028123
Phase Preclinical
Structure Type MOL
InChI Key FWZLSJAQZGRSHU-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.66
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N2+
MW 259.33
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine