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Compound Detail

CHEMBL121239

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CC(=O)NCCCNCCCNCCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121239
Phase Preclinical
Structure Type MOL
InChI Key KVEKXEZMTGKEJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.4
MW (Da)
-0.57
ALogP
4
HBA
4
HBD
79.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H26N4O
MW 230.36
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
11606128 10.1021/jm0101040 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine