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Compound Detail

CHEMBL2220213

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C[N+]1=C(/C=C/c2ccc(N3CCCC3)cc2)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220213
Phase Preclinical
Structure Type MOL
InChI Key XRNMYVVOYHOLKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
5.01
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N2+
MW 331.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine