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Compound Detail

CHEMBL23978

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NCCCCNCc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23978
Phase Preclinical
Structure Type MOL
InChI Key XZCJZNSIOTVCNR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.67
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2
MW 228.34
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11965367 10.1016/s0960-894x(02)00156-7 MDA-MB-231 1
11965367 10.1016/s0960-894x(02)00156-7 PC-3 1

Data from ChEMBL 36 via Core Engine