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Compound Detail

CHEMBL5316150

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C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc45)c4ccccc43)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5316150
Phase Preclinical
Structure Type MOL
InChI Key ZFQXVRJOHFYFDH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

925.3
MW (Da)
13.22
ALogP
5
HBA
1
HBD
52.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C62H78N5O2+
MW 925.34
Aromatic Rings 5
Heavy Atoms 69
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine