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Compound Detail

CHEMBL52038

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C=CCn1cc(C#N)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52038
Phase Preclinical
Structure Type MOL
InChI Key XEHAHBDKQIZVCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.07
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N5
MW 199.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
8632411 10.1021/jm950444j Human betaherpesvirus 5 1
8632411 10.1021/jm950444j Human alphaherpesvirus 1 1
8632411 10.1021/jm950444j HFF 1
8632411 10.1021/jm950444j KB 1
8632411 10.1021/jm950444j L1210 1
- 10.1016/S0960-894X(00)80470-9 HFF 1
- 10.1016/S0960-894X(00)80470-9 ADMET 1

Data from ChEMBL 36 via Core Engine