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Compound Detail

CHEMBL596330

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CCCCCCC1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596330
Phase Preclinical
Structure Type MOL
InChI Key ZVIGPYCYZQFMAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
3.59
ALogP
4
HBA
3
HBD
90.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36N4O3
MW 416.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2

Data from ChEMBL 36 via Core Engine