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Compound Detail

CHEMBL5087594

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C[C@@H](CN1CCC(N2CCNC2=O)CC1)NC(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087594
Phase Preclinical
Structure Type MOL
InChI Key JLMSUXMYGBGOQU-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
1.43
ALogP
3
HBA
2
HBD
64.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25FN4O2
MW 348.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.65

Pharmacokinetic Data

Parameter Value Units Species
CL 4.0 mL.min-1.kg-1 Homo sapiens
CL 16.0 mL.min-1.kg-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
35450377 10.1021/acsmedchemlett.1c00682 ADMET 3
35450377 10.1021/acsmedchemlett.1c00682 Phospholipase D1 1
35450377 10.1021/acsmedchemlett.1c00682 Phospholipase D2 1
35450377 10.1021/acsmedchemlett.1c00682 Calu-1 1

Data from ChEMBL 36 via Core Engine