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Compound Detail

CHEMBL4519525

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N=C(N)N1CCC(C(NC(=O)/C=C/c2ccc3c(c2)OCO3)P(=O)(Oc2ccccc2)Oc2ccccc2)CC1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4519525
Phase Preclinical
Structure Type MOL
InChI Key OZDUVLVWPODPAE-UNGNXWFZSA-N
Parent Compound CHEMBL4598214
Active Moiety CHEMBL4598214
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.6
MW (Da)
4.83
ALogP
7
HBA
3
HBD
136.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32F3N4O8P
MW 676.59
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
30571121 10.1021/acs.jmedchem.8b01466 ATP-dependent Clp protease proteolytic subunit 2

Data from ChEMBL 36 via Core Engine