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Compound Detail

CHEMBL2204229

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O=c1[nH]c2ccccc2nc1-c1ccccc1NCC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204229
Phase Preclinical
Structure Type MOL
InChI Key KNTBINOEINFSHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.41
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.77
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 C18H17N3O
MW 291.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.80

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