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Compound Detail

CHEMBL1196777

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NCCCCNCCCCNCc1c2ccccc2c(CNCCCCNCCCCN)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196777
Phase Preclinical
Structure Type MOL
InChI Key ZUPMGRRGEQYHFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.8
MW (Da)
4.39
ALogP
6
HBA
6
HBD
100.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H52N6
MW 520.81
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine