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Compound Detail

CHEMBL5817135

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CC(C)NC(=O)c1cc(Cl)c(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5817135
Phase Preclinical
Structure Type MOL
InChI Key MXHLCMLQRLWEMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.9
MW (Da)
3.88
ALogP
7
HBA
2
HBD
115.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClFN8O
MW 492.95
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine