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Compound Detail

CHEMBL2325187

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N[C@H]1CC[C@H](CCNC(=O)Nc2ccc3nnsc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325187
Phase Preclinical
Structure Type MOL
InChI Key ZXNNOGHVAGRTBY-XYPYZODXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.72
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N5OS
MW 319.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
23445220 10.1021/jm3018332 Protein arginine N-methyltransferase 3 1

Data from ChEMBL 36 via Core Engine