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Compound Detail

CHEMBL413120

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CCNc1cccnc1N1CCN(CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL413120
Phase Preclinical
Structure Type MOL
InChI Key QMBXAWHEXHOOFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
4.05
ALogP
6
HBA
2
HBD
60.9
PSA (Ų)
0.76
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 C25H36N4O2
MW 424.59
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine