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Compound Detail

CHEMBL2171356

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O=C1c2ccccc2C(=O)c2oc(-c3nnn[nH]3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171356
Phase Preclinical
Structure Type MOL
InChI Key MYSMTTQIJOHKOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
1.24
ALogP
6
HBA
1
HBD
101.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H6N4O3
MW 266.22
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
22845014 10.1021/jm3009597 HaCaT 2

Data from ChEMBL 36 via Core Engine