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Compound Detail

CHEMBL111418

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CC1(C)Oc2ccc(C#N)cc2[C@@H](/N=C(\NC#N)Oc2ccccc2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111418
Phase Preclinical
Structure Type MOL
InChI Key LTABKJNIJGROSK-MSOLQXFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.64
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.37
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 C20H18N4O3
MW 362.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.05

Literature References

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

Data from ChEMBL 36 via Core Engine