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Compound Detail

CHEMBL3736581

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NCCn1nnc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3736581
Phase Preclinical
Structure Type MOL
InChI Key QDGNXLMOTQABAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
0.39
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.69
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 C8H10N4
MW 162.20
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -2.26

Literature References

PubMed DOI Target Context # Activities
28548833 10.1021/acs.jmedchem.7b00389 Unchecked 1

Data from ChEMBL 36 via Core Engine