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Compound Detail

CHEMBL5661900

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CC(C)N(CCCNC(=O)c1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5661900
Phase Preclinical
Structure Type MOL
InChI Key DZHOBQQEXRDWMF-RKCWLVDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
1.86
ALogP
10
HBA
4
HBD
151.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39N7O4
MW 525.65
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
23250418 10.1038/ncomms2304 Histone-lysine N-methyltransferase, H3 lysine-79 specific 1

Data from ChEMBL 36 via Core Engine