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Compound Detail

CHEMBL1190840

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NCCCCNCCCCNCc1ccc(CNCCCCNCCCCN)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190840
Phase Preclinical
Structure Type MOL
InChI Key VKMAVCXHSLFYBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.8
MW (Da)
3.24
ALogP
6
HBA
6
HBD
100.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H50N6
MW 470.75
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine