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Compound Detail

CHEMBL4803417

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CC(C)(C)c1ccc(CC2C(=[N+]3CCCC3)C=CN(Cc3ccccc3)C2(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803417
Phase Preclinical
Structure Type MOL
InChI Key POUZXOIAQMHJKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
6.20
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N2+
MW 415.65
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine