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Compound Detail

CHEMBL5173349

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CN(CCCNC(=O)CNC(=O)Nc1ccc2sc(Cl)c(-c3cccnc3)c2c1)[C@@H]1CCCC(c2ncnc3[nH]ccc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5173349
Phase Preclinical
Structure Type MOL
InChI Key XODILVIVLXYGDT-GWQXNCQPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

631.2
MW (Da)
6.17
ALogP
7
HBA
4
HBD
127.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H35ClN8O2S
MW 631.21
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
35014841 10.1021/acs.jmedchem.1c01208 Histone-lysine N-methyltransferase, H3 lysine-79 specific 1

Data from ChEMBL 36 via Core Engine