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Compound Detail

CHEMBL1852088

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Cn1c(=O)c2c(cc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2C#N)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852088
Phase Preclinical
Structure Type MOL
InChI Key MXRXLBDXLGOZNC-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
1.03
ALogP
8
HBA
1
HBD
102.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23FN6O2
MW 410.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine