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Compound Detail

CHEMBL4452101

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N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452101
Phase Preclinical
Structure Type MOL
InChI Key HFBFHYNLEWMUCY-XSZFBFBBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
2.98
ALogP
8
HBA
2
HBD
142.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N9O
MW 453.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
31083997 10.1021/acs.jmedchem.9b00472 Unchecked 3

Data from ChEMBL 36 via Core Engine