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Compound Detail

CHEMBL496204

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Cc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496204
Phase Preclinical
Structure Type MOL
InChI Key CBSTWWNKPZEYLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.11
ALogP
6
HBA
1
HBD
64.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O
MW 345.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 3A4 2
19467868 10.1016/j.bmcl.2009.04.127 Cytochrome P450 2C9 1
19467868 10.1016/j.bmcl.2009.04.127 Rattus norvegicus 1
19467868 10.1016/j.bmcl.2009.04.127 Unchecked 1
19467868 10.1016/j.bmcl.2009.04.127 No relevant target 1

Data from ChEMBL 36 via Core Engine