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Compound Detail

CHEMBL196470

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Oc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196470
Phase Preclinical
Structure Type MOL
InChI Key UIHDHURJKAPXSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
3.39
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.59
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 C17H12N4O
MW 288.31
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
16250643 10.1021/jm058013g Unchecked 1
16250643 10.1021/jm058013g HT-29 1
16250643 10.1021/jm058013g HeLa 1
16250643 10.1021/jm058013g PC-3 1

Data from ChEMBL 36 via Core Engine