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Compound Detail

CHEMBL295684

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Nc1n[nH]c(-c2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295684
Phase Preclinical
Structure Type MOL
InChI Key VPTQEOQBSABCKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
0.45
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.64
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 C7H7N5
MW 161.17
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80359-5 Rattus norvegicus 4
6131126 10.1021/jm00355a001 Canis familiaris 2
6131126 10.1021/jm00355a001 Histamine H2 receptor 1
33089691 10.1021/acs.jmedchem.0c01635 Unchecked 1
33089691 10.1021/acs.jmedchem.0c01635 Coagulation factor X 1
33089691 10.1021/acs.jmedchem.0c01635 Prothrombin 1
33089691 10.1021/acs.jmedchem.0c01635 Coagulation factor XII 1

Data from ChEMBL 36 via Core Engine