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Compound Detail

CHEMBL91486

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Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccc(Cl)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91486
Phase Preclinical
Structure Type MOL
InChI Key OCFCLXVHANWHBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
5.98
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23Cl2N3
MW 436.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
7914928 10.1021/jm00043a009 Mus musculus 2
7914928 10.1021/jm00043a009 Oryctolagus cuniculus 1
7914928 10.1021/jm00043a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine