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Compound Detail

CHEMBL1498790

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Cc1ccc2nc(O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1498790
Phase Preclinical
Structure Type MOL
InChI Key HCQQZEQULYWCSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.56
ALogP
8
HBA
1
HBD
89.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N6O2
MW 456.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine