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Compound Detail

CHEMBL3962294

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O=c1[nH]c2ccccc2n1-c1nc2cc(Cl)c(Cl)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3962294
Phase Preclinical
Structure Type MOL
InChI Key IBFGDZMMQPXEJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.1
MW (Da)
3.50
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8Cl2N4O
MW 319.15
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
27391133 10.1021/acs.jmedchem.6b00709 Aurora kinase A 1

Data from ChEMBL 36 via Core Engine