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Compound Detail

CHEMBL3142957

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CC(=O)N[C@@H](CSCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142957
Phase Preclinical
Structure Type MOL
InChI Key YEXCWPYAFVNJLQ-SIENXNJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

765.0
MW (Da)
3.79
ALogP
8
HBA
6
HBD
191.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H56N4O8S
MW 764.99
Aromatic Rings 1
Heavy Atoms 54
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
11000013 10.1021/jm0000315 ADMET 1

Data from ChEMBL 36 via Core Engine