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Compound Detail

CHEMBL539295

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Cl.N=c1ncn2c3c1ncn3CC=CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539295
Phase Preclinical
Structure Type MOL
InChI Key CSOMVOQYKFHDGT-UHFFFAOYSA-N
Parent Compound CHEMBL1189703
Active Moiety CHEMBL1189703
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
0.28
ALogP
5
HBA
1
HBD
59.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10ClN5
MW 223.67
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine