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Compound Detail

CHEMBL601446

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CC1(C)CCCC(C)(C)N1CCCCCCCCCCCCN1C(C)(C)CCCC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601446
Phase Preclinical
Structure Type MOL
InChI Key CLRYXWWTYXEEBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.8
MW (Da)
8.97
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H60N2
MW 448.82
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
20079634 10.1016/j.bmcl.2009.12.089 Unchecked 2

Data from ChEMBL 36 via Core Engine