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Compound Detail

CHEMBL96298

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CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC#Cc1ccc(N)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96298
Phase Preclinical
Structure Type MOL
InChI Key RAUIDYACEHGEPP-YADHBBJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
2.26
ALogP
6
HBA
3
HBD
126.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O4
MW 491.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
11133089 10.1016/s0960-894x(00)00579-5 Prothrombin 1

Data from ChEMBL 36 via Core Engine