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Compound Detail

CHEMBL4101485

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Cc1nc2ccc(-c3ccc(CN4CCCC4)cc3)cc2n1C[C@H]1CCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4101485
Phase Preclinical
Structure Type MOL
InChI Key WBLHVRHAAPIFKV-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
4.79
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O
MW 375.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
28231433 10.1021/acs.jmedchem.7b00070 Sphingosine kinase 1 2

Data from ChEMBL 36 via Core Engine