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Compound Detail

CHEMBL3408280

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Cc1ccc(F)c(/N=C2\CCC(C)N2)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3408280
Phase Preclinical
Structure Type MOL
InChI Key BVBREGFYEJZJGZ-UHFFFAOYSA-N
Parent Compound CHEMBL3546751
Active Moiety CHEMBL3546751
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
2.94
ALogP
1
HBA
1
HBD
24.4
PSA (Ų)
0.75
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 C12H16ClFN2
MW 242.72
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
25521963 10.1021/jm501456p Rattus norvegicus 4
25521963 10.1021/jm501456p Nischarin 1
25521963 10.1021/jm501456p Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine