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Compound Detail

CHEMBL5523453

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CC(=O)N1CCC(CCn2nc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523453
Phase Preclinical
Structure Type MOL
InChI Key DHYHENKNGVNCNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
2.45
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O3
MW 408.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
38626523 10.1016/j.ejmech.2024.116395 TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine