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Compound Detail

CHEMBL4083661

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Oc1ccc(-c2ccc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083661
Phase Preclinical
Structure Type MOL
InChI Key HJSBIVFFPRFFDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
4.31
ALogP
3
HBA
3
HBD
69.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O2
MW 302.33
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
28206758 10.1021/acs.jmedchem.6b01840 Unchecked 4
28206758 10.1021/acs.jmedchem.6b01840 Dual specificity protein kinase CLK1 1
28206758 10.1021/acs.jmedchem.6b01840 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
28206758 10.1021/acs.jmedchem.6b01840 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
28206758 10.1021/acs.jmedchem.6b01840 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine