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Compound Detail

CHEMBL2079423

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COCCCOc1ccccc1C1CCN(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079423
Phase Preclinical
Structure Type MOL
InChI Key QPWJPASOXZROBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
2.26
ALogP
7
HBA
4
HBD
140.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H50N4O5
MW 534.74
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine