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Compound Detail

CHEMBL4061903

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c1ccc(C[C@@H]2CNCCCN2Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061903
Phase Preclinical
Structure Type MOL
InChI Key PHVFLVIHPOWZAL-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.09
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2
MW 280.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
28764962 10.1016/j.bmc.2017.07.027 C-8 sterol isomerase ERG2 8
28764962 10.1016/j.bmc.2017.07.027 Sigma non-opioid intracellular receptor 1 1
28764962 10.1016/j.bmc.2017.07.027 Sigma intracellular receptor 2 1
28764962 10.1016/j.bmc.2017.07.027 Unchecked 1

Data from ChEMBL 36 via Core Engine