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Compound Detail

CHEMBL5558414

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Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558414
Phase Preclinical
Structure Type MOL
InChI Key BKVKARQEYCDJLY-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.7
MW (Da)
4.81
ALogP
8
HBA
3
HBD
127.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N7O2
MW 515.66
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.11

Literature References

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

Data from ChEMBL 36 via Core Engine