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Compound Detail

CHEMBL448719

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448719
Phase Preclinical
Structure Type MOL
InChI Key CILDPQKNQAUATK-GTOOHUNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

584.8
MW (Da)
8.29
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H56O6
MW 584.84
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 2.84

Literature References

PubMed DOI Target Context # Activities
14987069 10.1021/np030373o Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine