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Compound Detail

CHEMBL5083676

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C[C@@H](CN1CCC2(CC1)c1ccccc1NC(=O)N2C)NC(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083676
Phase Preclinical
Structure Type MOL
InChI Key QMUVQYUFNCPMJC-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.41
ALogP
3
HBA
2
HBD
64.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN4O2
MW 410.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.07

Pharmacokinetic Data

Parameter Value Units Species
CL 39.0 mL.min-1.kg-1 Homo sapiens
CL 113.0 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
35450377 10.1021/acsmedchemlett.1c00682 No relevant target 1

Data from ChEMBL 36 via Core Engine