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Compound Detail

CHEMBL135632

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Nc1ncnc2c1ncn2C1C=CCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135632
Phase Preclinical
Structure Type MOL
InChI Key ZMTWIKQYFYLTPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
0.49
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.68
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 C9H9N5O
MW 203.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 2
1992143 10.1021/jm00105a064 PO3 1
1992143 10.1021/jm00105a064 MC-38 1
1992143 10.1021/jm00105a064 Homo sapiens 1
1992143 10.1021/jm00105a064 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine