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Compound Detail

CHEMBL3819729

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O=c1[nH]c(-c2ccn(C[C@@H]3CNCCO[C@H]3c3ccc(Cl)c(F)c3)c(=O)c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819729
Phase Preclinical
Structure Type MOL
InChI Key KXIDUQCHTMDEJC-GUYCJALGSA-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 -1.08

Data from ChEMBL 36 via Core Engine