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Compound Detail

CHEMBL4070324

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COC(=O)Nc1noc2cc(-c3c(C(C)(C)C)n[nH]c3C)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070324
Phase Preclinical
Structure Type MOL
InChI Key ZDKRSVDQOYCIDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.00
ALogP
5
HBA
2
HBD
93.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O3
MW 328.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
28705644 10.1016/j.bmcl.2017.07.004 HepG2 1

Data from ChEMBL 36 via Core Engine