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Compound Detail

CHEMBL1701083

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CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)NCCCCc3ccccc3)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1701083
Phase Preclinical
Structure Type MOL
InChI Key JTUDBUSBDQUUBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
5.02
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N3O4
MW 479.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine