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Compound Detail

CHEMBL2203535

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O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2203535
Phase Preclinical
Structure Type MOL
InChI Key CZCLEQLRICNVOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.20
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
23256033 10.1021/ml300246r Unchecked 1
23256033 10.1021/ml300246r Serine/threonine-protein kinase 33 1

Data from ChEMBL 36 via Core Engine