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Compound Detail

CHEMBL5591359

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COc1cccc([C@@H](C)NC(=O)c2cn(C)c3ccc(-c4ccn5nc(NC(=O)C(C)C)nc5c4)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5591359
Phase Preclinical
Structure Type MOL
InChI Key AONQYOFLFYDFEP-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
4.98
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N6O3
MW 510.60
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
38159286 10.1021/acs.jmedchem.3c02102 Receptor-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine