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Compound Detail

CHEMBL5315819

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C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc56)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5315819
Phase Preclinical
Structure Type MOL
InChI Key YIVXLYPFIDEQFV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

841.2
MW (Da)
11.94
ALogP
5
HBA
1
HBD
52.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H66N5O2+
MW 841.18
Aromatic Rings 5
Heavy Atoms 63
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine