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Compound Detail

CHEMBL1178835

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C=Cc1c2[nH]c3ccccc3c2c(OC)c[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178835
Phase Preclinical
Structure Type MOL
InChI Key HALDMLPSECSTJQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.80
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.68
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 C15H15N2O+
MW 239.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.71

Data from ChEMBL 36 via Core Engine