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Compound Detail

CHEMBL214309

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N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@@H](NCC(=O)O)C3CCCCC3)Cc3ccccc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214309
Phase Preclinical
Structure Type MOL
InChI Key UZAYUOPBAIRPKQ-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
1.86
ALogP
5
HBA
6
HBD
157.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N5O4
MW 505.62
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
16913694 10.1021/jm0606950 Prothrombin 1
16913694 10.1021/jm0606950 Vitamin K-dependent protein C 1

Data from ChEMBL 36 via Core Engine