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Compound Detail

CHEMBL588845

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N=C(NCCCO)c1ccc(N2CCN(c3ccc(C(=N)NCCCO)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL588845
Phase Preclinical
Structure Type MOL
InChI Key UJIOLNKCNYLMHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
1.61
ALogP
6
HBA
6
HBD
118.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N6O2
MW 438.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine