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Compound Detail

CHEMBL100283

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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(NCCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100283
Phase Preclinical
Structure Type MOL
InChI Key PBRCWWVWHOXGJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

635.1
MW (Da)
3.17
ALogP
9
HBA
7
HBD
193.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35ClN10O4
MW 635.13
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10121-4 L1210 3
- 10.1016/S0960-894X(97)10121-4 ADMET 2

Data from ChEMBL 36 via Core Engine