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Compound Detail

CHEMBL3735072

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COc1ccc(N2CCN(C)CC2)cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735072
Phase Preclinical
Structure Type MOL
InChI Key CUOAVZSCGCGQOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.00
ALogP
7
HBA
2
HBD
65.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F2N6O
MW 426.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
25914804 10.1039/c4md00412d NON-PROTEIN TARGET 2
25914804 10.1039/c4md00412d A549 1
25914804 10.1039/c4md00412d KB 1
25914804 10.1039/c4md00412d Cyclin-dependent kinase 2/cyclin E1 1
25914804 10.1039/c4md00412d CDK9/cyclin T1 1

Data from ChEMBL 36 via Core Engine