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Compound Detail

CHEMBL321677

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CC1(C)Oc2ccc(C#N)cc2[C@@H](/N=C(\NC#N)Nc2cccc(C(=O)O)c2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321677
Phase Preclinical
Structure Type MOL
InChI Key YTRFPPOMPWOENA-MSOLQXFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
2.37
ALogP
6
HBA
4
HBD
150.8
PSA (Ų)
0.26
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 C21H19N5O4
MW 405.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
7650676 10.1021/jm00017a007 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine