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Compound Detail

CHEMBL3984757

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

Basic Information

ChEMBL ID CHEMBL3984757
Phase Preclinical
Structure Type MOL
InChI Key AMSYNEAWRKZFHZ-UPBVYHFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.1
MW (Da)
6.05
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.18
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 C27H39ClO4
MW 463.06
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.44

Data from ChEMBL 36 via Core Engine