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Compound Detail

CHEMBL121447

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CC(C)[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121447
Phase Preclinical
Structure Type MOL
InChI Key FPCSOHPFHSDMLS-IPCDWFNJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

863.1
MW (Da)
3.51
ALogP
8
HBA
7
HBD
237.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H70N6O9
MW 863.11
Aromatic Rings 2
Heavy Atoms 62
NP-Likeness 0.44

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7658449 10.1021/jm00018a022 Ribonucleoside-diphosphate reductase RR1 2

Data from ChEMBL 36 via Core Engine