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Compound Detail

CHEMBL3408288

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CC1CC/C(=N/c2cc3c(cc2Cl)CCC3)N1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3408288
Phase Preclinical
Structure Type MOL
InChI Key YRFRGJOISGTHSK-UHFFFAOYSA-N
Parent Compound CHEMBL3546397
Active Moiety CHEMBL3546397
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.8
MW (Da)
3.63
ALogP
1
HBA
1
HBD
24.4
PSA (Ų)
0.81
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 C14H18Cl2N2
MW 285.22
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.39

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