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Compound Detail

CHEMBL4465410

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Cc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465410
Phase Preclinical
Structure Type MOL
InChI Key OCNGPMHNCFMYGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.68
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.62
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 C20H17N5O
MW 343.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
30605343 10.1021/acs.jmedchem.8b01408 HEK293 1
30605343 10.1021/acs.jmedchem.8b01408 Unchecked 1

Data from ChEMBL 36 via Core Engine