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Compound Detail

CHEMBL4086182

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Cc1noc(C)c1-c1ccc2ncc3nnn([C@@H](C)c4ccc(F)cc4)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086182
Phase Preclinical
Structure Type MOL
InChI Key SXVZDCHOUFELTJ-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
5.00
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.44
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 C22H18FN5O
MW 387.42
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
28692292 10.1021/acs.jmedchem.7b00665 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine