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Compound Detail

CHEMBL5523459

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Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2CCC1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523459
Phase Preclinical
Structure Type MOL
InChI Key OBZMCJVOIVEFDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.95
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N7
MW 361.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.71

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