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Compound Detail

CHEMBL5089702

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CN1CCN(CCNC(=O)c2cccn3c(=O)c4ccc5ccccc5c4nc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089702
Phase Preclinical
Structure Type MOL
InChI Key BBQUXUNDPXTIJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
1.98
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O2
MW 415.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
35450366 10.1021/acsmedchemlett.1c00660 Cytochrome P450 1A2 1
35450366 10.1021/acsmedchemlett.1c00660 DNA-directed RNA polymerase I subunit RPA1 1
35450366 10.1021/acsmedchemlett.1c00660 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine