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Compound Detail

CHEMBL51537

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Nc1ccc2nc(CCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51537
Phase Preclinical
Structure Type MOL
InChI Key BZMWQUDTPBDPFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
2.39
ALogP
4
HBA
4
HBD
109.4
PSA (Ų)
0.43
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 C16H16N6
MW 292.35
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
8510102 10.1021/jm00064a008 Nucleic Acid 3
19899766 10.1021/jm900861d Dihydropteroate synthase 2
8510102 10.1021/jm00064a008 Calf thymus DNA 1

Data from ChEMBL 36 via Core Engine