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Compound Detail

CHEMBL4456448

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CC(=O)NCc1ccccc1-n1c(C)nnc1CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN(C)C)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456448
Phase Preclinical
Structure Type MOL
InChI Key RNSFKEYYXWNCOX-FFFNHMGKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

660.8
MW (Da)
-2.65
ALogP
12
HBA
8
HBD
245.9
PSA (Ų)
0.07
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H48N10O7
MW 660.78
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness -0.69

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
31327677 10.1016/j.bmc.2019.07.020 Histone-lysine N-methyltransferase SETDB1 2

Data from ChEMBL 36 via Core Engine