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Compound Detail

CHEMBL4097535

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O=C(Nc1cccc(O)c1)c1c[nH]c2ncc(-c3ccc(O)cc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097535
Phase Preclinical
Structure Type MOL
InChI Key CMLCCTPKLYKIJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.89
ALogP
4
HBA
4
HBD
98.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O3
MW 345.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.78

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