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Compound Detail

CHEMBL5176770

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CC(C)C[C@H](NC(=O)CCCCCCCNC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1)[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176770
Phase Preclinical
Structure Type MOL
InChI Key KPCMCUQQVDPKGS-JYBLRYPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

769.1
MW (Da)
8.15
ALogP
6
HBA
5
HBD
153.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H76N2O7
MW 769.12
Aromatic Rings 0
Heavy Atoms 55
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
35513221 10.1016/j.bmcl.2022.128768 Human immunodeficiency virus 1 3
35513221 10.1016/j.bmcl.2022.128768 TZM 1

Data from ChEMBL 36 via Core Engine