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Compound Detail

CHEMBL4517157

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N=C(N)N1CCC(C(NCCC2CCNCC2)P(=O)(Oc2ccccc2)Oc2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517157
Phase Preclinical
Structure Type MOL
InChI Key PIHHXFCGPHQSTB-UHFFFAOYSA-N
Parent Compound CHEMBL4597780
Active Moiety CHEMBL4597780
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
4.25
ALogP
6
HBA
4
HBD
112.7
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40F6N5O7P
MW 727.64
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.15

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