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Compound Detail

CHEMBL3139004

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O=C(N[C@H]1CC[C@H](NC(=O)c2ccc(C3=NCCN3)cc2)CC1)c1ccc(C2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139004
Phase Preclinical
Structure Type MOL
InChI Key RSQWGKVHLVTEHY-HZCBDIJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
1.86
ALogP
6
HBA
4
HBD
107.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O2
MW 458.57
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine