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Compound Detail

CHEMBL4745518

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CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CCO)CC4)c(F)c3)nc2n1C12CC(C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745518
Phase Preclinical
Structure Type MOL
InChI Key QOUGGDPQABJLGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
2.64
ALogP
8
HBA
2
HBD
89.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32FN7O2
MW 493.59
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
33488958 10.1021/acsmedchemlett.0c00635 CDK9/cyclin T1 1
33488958 10.1021/acsmedchemlett.0c00635 Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine