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Compound Detail

CHEMBL3913094

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CCCC1(C(O)c2cccc([C@H]3CCC(=O)[C@@H]3CCCCCCC(=O)OC)c2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3913094
Phase Preclinical
Structure Type MOL
InChI Key VLWQNNSEVJQAEJ-JIISWEIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
6.27
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40O4
MW 428.61
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.12

Data from ChEMBL 36 via Core Engine