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Compound Detail

CHEMBL404920

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Cn1cc2c3c1C(=O)C(NCc1ccccc1)=CC3=NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404920
Phase Preclinical
Structure Type MOL
InChI Key HHMFBTGZDBUVCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.24
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O
MW 291.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
18077173 10.1016/j.bmc.2007.11.063 NCI-H460 1

Data from ChEMBL 36 via Core Engine