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Compound Detail

CHEMBL5973032

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CCCCNc1nc(-c2cccc(C3(CN)Cc4ccccc4C3)c2)c2cc[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5973032
Phase Preclinical
Structure Type MOL
InChI Key OTTKIQNWUMGIGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
4.83
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5
MW 411.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine