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Compound Detail

CHEMBL3408296

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CC1CN/C(=N\c2cccc3c2CCCC3)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3408296
Phase Preclinical
Structure Type MOL
InChI Key WVPXSFHTUQAIFN-UHFFFAOYSA-N
Parent Compound CHEMBL3547075
Active Moiety CHEMBL3547075
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.22
ALogP
1
HBA
1
HBD
24.4
PSA (Ų)
0.78
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 C15H21ClN2
MW 264.80
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.19

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