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Compound Detail

CHEMBL285114

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N=C(N)c1ccc(CCc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL285114
Phase Preclinical
Structure Type MOL
InChI Key JOWNWLCPLPEGAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
2.04
ALogP
2
HBA
4
HBD
99.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4
MW 266.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
11311057 10.1021/jm000395x Suppressor of tumorigenicity 14 protein 1

Data from ChEMBL 36 via Core Engine