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Compound Detail

CHEMBL4081779

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O=C(NCCCCc1ccccc1)n1c(=O)[nH]c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081779
Phase Preclinical
Structure Type MOL
InChI Key SIWGYABTEWPOTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.91
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.71
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 C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.66

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.0 hr -
T1/2 2.0 hr -
T1/2 2.0 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
28603987 10.1021/acs.jmedchem.7b00472 No relevant target 2
28603987 10.1021/acs.jmedchem.7b00472 Acid ceramidase 1
28603987 10.1021/acs.jmedchem.7b00472 Plasma 1

Data from ChEMBL 36 via Core Engine