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Compound Detail

CHEMBL5556702

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Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556702
Phase Preclinical
Structure Type MOL
InChI Key FJLDZJWUXOJRIA-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
4.08
ALogP
8
HBA
3
HBD
127.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N7O2
MW 509.61
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
38913497 10.1021/acs.jmedchem.4c00475 Coagulation factor XII 2

Data from ChEMBL 36 via Core Engine