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Compound Detail

CHEMBL217590

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CC(C)(C)/C(=N\Nc1nc2ccccc2o1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217590
Phase Preclinical
Structure Type MOL
InChI Key XIQCJYGTWKZLAW-HKWRFOASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.09
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O
MW 294.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17034140 10.1021/jm060232u Burkitts lymphoma cell 1
17034140 10.1021/jm060232u CCRF-CEM 1
17034140 10.1021/jm060232u HeLa 1
17034140 10.1021/jm060232u HT-29 1
- 10.1007/s00044-010-9510-3 HT-29 1
- 10.1007/s00044-010-9510-3 HeLa 1
- 10.1007/s00044-010-9510-3 CCRF-CEM 1
- 10.1007/s00044-010-9510-3 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine