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Compound Detail

CHEMBL1183464

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

Basic Information

ChEMBL ID CHEMBL1183464
Phase Preclinical
Structure Type MOL
InChI Key KISFCPAMIRSDBE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.28
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N2O+
MW 253.32
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine