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Compound Detail

CHEMBL228762

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c1ccc(CN2CC3CCC(C2)N3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228762
Phase Preclinical
Structure Type MOL
InChI Key QXMPIEOTDBYZDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
1.62
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2
MW 202.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
17254669 10.1016/j.ejmech.2006.11.013 MT4 1
17254669 10.1016/j.ejmech.2006.11.013 CCRF-CEM 1
17254669 10.1016/j.ejmech.2006.11.013 WIL2-NS 1
17254669 10.1016/j.ejmech.2006.11.013 CCRF-SB 1
17254669 10.1016/j.ejmech.2006.11.013 NON-PROTEIN TARGET 1
17254669 10.1016/j.ejmech.2006.11.013 SK-MEL-28 1
17254669 10.1016/j.ejmech.2006.11.013 MCF7 1
17254669 10.1016/j.ejmech.2006.11.013 SK-MES-1 1
17254669 10.1016/j.ejmech.2006.11.013 HepG2 1
17254669 10.1016/j.ejmech.2006.11.013 DU-145 1

Data from ChEMBL 36 via Core Engine