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Compound Detail

CHEMBL2037216

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Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2037216
Phase Preclinical
Structure Type MOL
InChI Key ONEJSVZJYWOQBN-YVLHZVERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.83
ALogP
3
HBA
4
HBD
82.9
PSA (Ų)
0.44
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 C19H16N4O
MW 316.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
24900443 10.1021/ml200261d NON-PROTEIN TARGET 4
24900443 10.1021/ml200261d NT-3 growth factor receptor 1
24900443 10.1021/ml200261d ADMET 1

Data from ChEMBL 36 via Core Engine