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Compound Detail

CHEMBL5077001

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Cc1nnc2c(NC3CCN(C)CC3)nc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077001
Phase Preclinical
Structure Type MOL
InChI Key YLZNMKRRKIBZCE-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
1.18
ALogP
8
HBA
2
HBD
107.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N8O2
MW 460.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
35133824 10.1021/acs.jmedchem.1c01871 ATPase family AAA domain-containing protein 2 2
35133824 10.1021/acs.jmedchem.1c01871 No relevant target 1

Data from ChEMBL 36 via Core Engine