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Compound Detail

CHEMBL5095527

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CCCCNc1nc(N)nc2ccc(Cc3ccc(C[N+](C)(C)C)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095527
Phase Preclinical
Structure Type MOL
InChI Key GQEGKFFFOFJKIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.62
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N6+
MW 379.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine