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Compound Detail

CHEMBL1789274

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CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789274
Phase Preclinical
Structure Type MOL
InChI Key YHAUZLJCBAELMT-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
54.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.34

Pharmacokinetic Data

Parameter Value Units Species
CL 26.0 mL.min-1.g-1 Homo sapiens
CL 142.0 uL.min-1.(10^6cells)-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 2
- 10.6019/CHEMBL3301361 No relevant target 2

Data from ChEMBL 36 via Core Engine