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Compound Detail

CHEMBL4544245

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CC(C)[C@H](NC(=O)CCCCCCCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544245
Phase Preclinical
Structure Type MOL
InChI Key IABPCIVDACUYAY-AKCNWNIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

881.3
MW (Da)
11.44
ALogP
6
HBA
4
HBD
159.1
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H88N2O8
MW 881.29
Aromatic Rings 0
Heavy Atoms 63
NP-Likeness 1.63

Literature References

PubMed DOI Target Context # Activities
31617361 10.1021/acs.jnatprod.9b00649 Protease 1

Data from ChEMBL 36 via Core Engine