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Compound Detail

CHEMBL4524615

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CC(C)[C@@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4524615
Phase Preclinical
Structure Type MOL
InChI Key NOVCCZLKNWAHGH-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
5.25
ALogP
6
HBA
1
HBD
64.6
PSA (Ų)
0.45
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35F3N6O
MW 552.65
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
27219676 10.1021/acs.jmedchem.6b00140 Tyrosine-protein kinase ABL1 1
27219676 10.1021/acs.jmedchem.6b00140 Epithelial discoidin domain-containing receptor 1 1

Data from ChEMBL 36 via Core Engine