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Compound Detail

CHEMBL2219959

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C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219959
Phase Preclinical
Structure Type MOL
InChI Key CAAWJPKOKADKRS-PSWAGMNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.7
MW (Da)
4.39
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H46N4
MW 414.68
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine