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Compound Detail

CHEMBL204061

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c1ccc(-c2nn3c(c2-c2ccc4[nH]ccc4c2)CCC3)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204061
Phase Preclinical
Structure Type MOL
InChI Key QHMHAHQOXJQUDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.04
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4
MW 300.37
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
16539403 10.1021/jm058209g TGF-beta receptor type-1 2
16539403 10.1021/jm058209g TGF-beta receptor type-2 1
16539403 10.1021/jm058209g Mitogen-activated protein kinase kinase kinase 20 1
16539403 10.1021/jm058209g Unchecked 1

Data from ChEMBL 36 via Core Engine