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Compound Detail

CHEMBL588458

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CN1CCCN=C1c1ccc(N2CCN(c3ccc(C4=NCCCN4C)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL588458
Phase Preclinical
Structure Type MOL
InChI Key QBMFUNRMWNDGKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.18
ALogP
6
HBA
0
HBD
37.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N6
MW 430.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine