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Compound Detail

CHEMBL3182383

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O=C(Nc1cc(N2CCCCC2)ncn1)c1cc2ccccc2s1.O=CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3182383
Phase Preclinical
Structure Type MOL
InChI Key KINHVCCPXGGOPW-UHFFFAOYSA-N
Parent Compound CHEMBL3301809
Active Moiety CHEMBL3301809
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O3S
MW 384.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.23

Data from ChEMBL 36 via Core Engine