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Compound Detail

CHEMBL352928

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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL352928
Phase Preclinical
Structure Type MOL
InChI Key ORLJEHHINDEMRP-PMVMPFDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

589.7
MW (Da)
2.06
ALogP
7
HBA
4
HBD
161.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N7O4S
MW 589.72
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
10206546 10.1016/s0960-894x(99)00096-7 Prothrombin 1
10206546 10.1016/s0960-894x(99)00096-7 Serine protease 1 1
10206546 10.1016/s0960-894x(99)00096-7 Thrombin & trypsin 1
18053726 10.1016/j.bmc.2007.11.015 Prothrombin 1

Data from ChEMBL 36 via Core Engine