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Compound Detail

CHEMBL6021628

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C[C@H](NC(=O)c1ccc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cn1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6021628
Phase Preclinical
Structure Type MOL
InChI Key ALRVLELYJYRMRO-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
2.87
ALogP
8
HBA
2
HBD
128.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N9O
MW 467.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine