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Compound Detail

CHEMBL5402421

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NCCNc1ccnc2cc(OCc3ccccc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402421
Phase Preclinical
Structure Type MOL
InChI Key ZWMPKGLCMMMJTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O
MW 293.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
38039505 10.1021/acs.jmedchem.3c00877 Fermitin family homolog 2 2

Data from ChEMBL 36 via Core Engine