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Compound Detail

CHEMBL124566

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c1cc(CN2CCNCCNCCNCC2)ccc1CN1CCNCCNCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124566
Phase Preclinical
Structure Type MOL
InChI Key WPVKOBPYIJPLAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.7
MW (Da)
-1.14
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H46N8
MW 446.69
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.44

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Literature References

PubMed DOI Target Context # Activities
29522685 10.1021/acs.jmedchem.7b01830 Plasma 1

Data from ChEMBL 36 via Core Engine