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Compound Detail

CHEMBL3824021

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CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)O)cc3)c3c(N)ncnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3824021
Phase Preclinical
Structure Type MOL
InChI Key CRKBRAMRALUIEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
1.73
ALogP
8
HBA
2
HBD
113.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N7O2
MW 423.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
27115835 10.1021/acs.jmedchem.6b00065 Tyrosine-protein kinase ABL1 1
27115835 10.1021/acs.jmedchem.6b00065 Proto-oncogene tyrosine-protein kinase Src 1
27115835 10.1021/acs.jmedchem.6b00065 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine