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Compound Detail

CHEMBL5221782

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CC1CCN(c2cc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3[n+]2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221782
Phase Preclinical
Structure Type MOL
InChI Key WHTUDZVIGWMRTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
5.14
ALogP
2
HBA
0
HBD
10.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N3+
MW 386.56
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine