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Compound Detail

CHEMBL3302053

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CC/N=C(\N)Nc1ccc(NC(=O)c2ccc(N/C(N)=N/CC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302053
Phase Preclinical
Structure Type MOL
InChI Key YCSCSXJEZUWSEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
2.43
ALogP
3
HBA
5
HBD
129.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N7O
MW 367.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00292C Unchecked 1

Data from ChEMBL 36 via Core Engine