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Compound Detail

CHEMBL3040959

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Cc1[nH]c2ccccc2c1/C=C/c1cc(N)c2ccccc2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040959
Phase Preclinical
Structure Type MOL
InChI Key LMTNURHHYFAUOB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.21
ALogP
1
HBA
2
HBD
45.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N3+
MW 314.41
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine