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Compound Detail

CHEMBL280117

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Nc1cccc(CNCCCCNCc2cccc(N)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280117
Phase Preclinical
Structure Type MOL
InChI Key INRSGUZEJILLDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.51
ALogP
4
HBA
4
HBD
76.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4
MW 298.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.54

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