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Compound Detail

CHEMBL4784832

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O=c1c(NCc2ccccn2)c(Nc2ccc3c(c2)CCC3)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784832
Phase Preclinical
Structure Type MOL
InChI Key IWJBBTNQELCBCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.52
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.32

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.185 hr Mus musculus
T1/2 0.1717 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
32927218 10.1016/j.ejmech.2020.112538 ADMET 4
32927218 10.1016/j.ejmech.2020.112538 Unchecked 3
32927218 10.1016/j.ejmech.2020.112538 Vero 1
32927218 10.1016/j.ejmech.2020.112538 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine