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Compound Detail

CHEMBL3769719

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N=C(N)N/N=C/c1cccc(OCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769719
Phase Preclinical
Structure Type MOL
InChI Key OYMSXHFUKGKODW-VCHYOVAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.08
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.44
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 C15H16N4O
MW 268.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00400D Trace amine-associated receptor 1 2

Data from ChEMBL 36 via Core Engine