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Compound Detail

CHEMBL3819725

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O=c1[nH]c(-c2cccc(=O)n2C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819725
Phase Preclinical
Structure Type MOL
InChI Key VWLHVEXEDFZBRZ-SJCJKPOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.8
MW (Da)
1.96
ALogP
7
HBA
2
HBD
102.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClFN4O4
MW 420.83
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine