Details of the Drug

General Information of Drug (ID: DMHX1LA)

• Drug Name: KL001
• Synonyms: 309928-48-1; N-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide; N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide; SMR000106264; MLS000110334; N-[3-(9H-Carbazol-9-yl)-2-hydroxypropyl]-N-(2-furanylmethyl)methanesulfonamide; KL-001; N-[3-(9H-Carbazol-9-yl)-2-hydroxypropyl]-N-[(furan-2-yl)methyl]methanesulfonamide; N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide; CBMicro_005790; ChemDiv2_003790; Oprea1_152161; Oprea1_419357; MLS002540427; MLS006011739; CHEMBL1498001; SCHEMBL15380452; BDBM56256; cid_2888648; HMS1379M06; HMS2371E17; SMSF0015860; STK839587; AKOS000581142; AKOS016386481; CB08282; MCULE-8116422943; IDI1_002505; NCGC00079434-02; NCGC00079434-03; NCGC00079434-06; BIM-0006034.P001; KL001(KL-001;KL 001); EU-0005302; ST50257205; 10.14272/OQAFDLPAPSSOHY-UHFFFAOYSA-N; doi:10.14272/OQAFDLPAPSSOHY-UHFFFAOYSA-N; SR-01000436091; SR-01000436091-1; BRD-A94580299-001-08-8; F1345-0456; (3-carbazol-9-yl-2-hydroxypropyl)(2-furylmethyl)(methylsulfonyl)amine; N-(3-carbazol-9-yl-2-hydroxy-propyl)-N-(2-furfuryl)methanesulfonamide; N-[3-(9-carbazolyl)-2-hydroxypropyl]-N-(2-furanylmethyl)methanesulfonamide; N-(3-carbazol-9-yl-2-oxidanyl-propyl)-N-(furan-2-ylmethyl)methanesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Glioblastoma of brain	2A00.00	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 398.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H22N2O4S
  IUPAC Name: N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide
  Canonical SMILES: CS(=O)(=O)N(CC1=CC=CO1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
  InChI: InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3
  InChIKey: OQAFDLPAPSSOHY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2888648
  ChEBI ID: CHEMBL1498001
  TTD ID: D95KWS
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cryptochrome circadian clock 1 (CRY1)	TT5MLZR	CRY1_HUMAN	Activator	[2]
Cryptochrome-2 (CRY2)	TTAO58M	CRY2_HUMAN	Activator	[2]

References

• [1] Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
• [2] Identification of small molecule activators of cryptochrome. Science. 2012 Aug 31;337(6098):1094-7.