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Compound Detail

CHEMBL5081876

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COc1cc2nc(Nc3cc(C)nc(-n4nc(C)cc4C)n3)[nH]c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5081876
Phase Preclinical
Structure Type MOL
InChI Key QXZWZORWYJKSIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.22
ALogP
8
HBA
2
HBD
102.8
PSA (Ų)
0.55
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 C19H21N7O2
MW 379.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
34962403 10.1021/acs.jmedchem.1c01473 Small conductance calcium-activated potassium channel protein 2 1

Data from ChEMBL 36 via Core Engine