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Compound Detail

CHEMBL3139007

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O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139007
Phase Preclinical
Structure Type MOL
InChI Key IQOAKMRPXDYBPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.64
ALogP
5
HBA
3
HBD
77.9
PSA (Ų)
0.80
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 C19H19N5O
MW 333.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine