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Compound Detail

CHEMBL3763586

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Nc1nc(-c2ccccn2)nn1-c1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763586
Phase Preclinical
Structure Type MOL
InChI Key QXCWBJRIZHSNHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
1.17
ALogP
11
HBA
2
HBD
153.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N10O2
MW 418.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
26632965 10.1021/acs.jmedchem.5b01092 BJ 1
26632965 10.1021/acs.jmedchem.5b01092 No relevant target 1
26632965 10.1021/acs.jmedchem.5b01092 Serine-protein kinase ATM 1

Data from ChEMBL 36 via Core Engine