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Compound Detail

CHEMBL1739690

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CC(C)(C)c1cc[n+](/C=C2\C=CC3=CC/C(=C\[n+]4ccc(C(C)(C)C)cc4)C=C3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739690
Phase Preclinical
Structure Type MOL
InChI Key QWNIAMHRNCGDAT-MBALSZOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
6.46
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N2+2
MW 424.63
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.35

Data from ChEMBL 36 via Core Engine