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Compound Detail

CHEMBL283055

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CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283055
Phase Preclinical
Structure Type MOL
InChI Key MJDAXLNYJFXJNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
5.06
ALogP
7
HBA
2
HBD
113.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N8O
MW 516.61
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine