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Compound Detail

CHEMBL369274

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CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369274
Phase Preclinical
Structure Type MOL
InChI Key HALLPOZIAKOKPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.02
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H26N2O2
MW 278.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.84

Pharmacokinetic Data

Parameter Value Units Species
CL 36.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
3712384 10.1021/jm00156a010 Oryctolagus cuniculus 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine