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Compound Detail

CHEMBL294524

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CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294524
Phase Preclinical
Structure Type MOL
InChI Key NRJWWCDKBXLCCC-JXAWBTAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.8
MW (Da)
3.34
ALogP
3
HBA
0
HBD
48.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16ClN3O
MW 289.77
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine