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Compound Detail

CHEMBL1381546

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CCc1nn(C(C)C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1381546
Phase Preclinical
Structure Type MOL
InChI Key JRAWDWVNMXSWBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
2.92
ALogP
8
HBA
1
HBD
88.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N6O3
MW 490.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.63

Data from ChEMBL 36 via Core Engine