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Compound Detail

CHEMBL5420892

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CNC(=O)c1ccc2nc(-c3ccc4cnccc4c3)n([C@@H]3CC[C@@H](C(=O)NC)C3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420892
Phase Preclinical
Structure Type MOL
InChI Key ANCXOAUOHGEXGJ-YLJYHZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.70
ALogP
5
HBA
2
HBD
88.9
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 C25H25N5O2
MW 427.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
36719862 10.1021/acs.jmedchem.2c01886 Bone morphogenetic protein receptor type-2 1

Data from ChEMBL 36 via Core Engine