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Compound Detail

CHEMBL3917878

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CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3C/C=C\CCCC(=O)OC)c2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3917878
Phase Preclinical
Structure Type MOL
InChI Key HAOFKXXCXDQHEZ-TZTOVLLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.01
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38O5
MW 442.60
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.51

Data from ChEMBL 36 via Core Engine