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Compound Detail

CHEMBL5846537

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CC(C)Oc1cc2[nH]c(=O)c([C@H](C)Nc3ccc(C#N)n(C)c3=O)cc2cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5846537
Phase Preclinical
Structure Type MOL
InChI Key HPOPOVVUDKGCAN-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
3.71
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN4O3
MW 412.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine