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Compound Detail

CHEMBL5282733

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Cc1ccncc1-c1ccnc2c1cnn2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282733
Phase Preclinical
Structure Type MOL
InChI Key WXLMADXQJQWUIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.34
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4
MW 224.27
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
36031020 10.1016/j.bmcl.2022.128951 Steroid 17-alpha-hydroxylase/17,20 lyase 1
36031020 10.1016/j.bmcl.2022.128951 Cytochrome P450 1A2 1

Data from ChEMBL 36 via Core Engine