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Compound Detail

CHEMBL1181479

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CC(C)c1c2ccccc2[n+](C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181479
Phase Preclinical
Structure Type MOL
InChI Key SJPBNUIPWOHEAC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
4.42
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N2+
MW 275.38
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness 0.57

Data from ChEMBL 36 via Core Engine