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Compound Detail

CHEMBL3218767

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Cc1cc(NC(=O)Cn2cc(-c3cccc4ccccc34)nn2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218767
Phase Preclinical
Structure Type MOL
InChI Key RYMGNAANFDQQIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.03
ALogP
6
HBA
1
HBD
85.8
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 C18H15N5O2
MW 333.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.27

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1

Data from ChEMBL 36 via Core Engine