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Compound Detail

CHEMBL1183068

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CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183068
Phase Preclinical
Structure Type MOL
InChI Key WKMYTGFXVZCHSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.24
ALogP
4
HBA
0
HBD
37.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N5+
MW 424.57
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine