All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

irofulven 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
antineoplastics, acylfulvene derivatives	1483	158440-71-2

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: 6-hydroxymethylacylfulvene MGI-114 irofulven (-)-Irofulven	Molecular weight: 246.31 Formula: C15H18O3 CLOGP: 0.59 LIPINSKI: 0 HAC: 3 HDO: 2 TPSA: 57.53 ALOGS: -2.68 ROTB: 1

Drug dosage:

None

ADMET properties:

Property	Value	Reference
Vd (Volume of distribution)	3.10 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	140 mL/min/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	0.30 hours	Lombardo F, Berellini G, Obach RS
BDDCS (Biopharmaceutical Drug Disposition Classification System)	2	Bocci G, Oprea TI, Benet LZ

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70	65
kinase-selectivity-class	AXL,CDK16,CDK4,CDK9,CLK2,EIF2AK3,EPHB4,GRK2,GSK3A,JAK2,MAP2K4,MAP2K6,MAP3K14,MAP3K2,MAP3K7,PDK1,PRKAA1,STK33,SYK,TEK,TGFBR1,ZAP70	22
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
MeSH PA	D000477	Alkylating Agents
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D009676	Noxae
MeSH PA	D011838	Radiation-Sensitizing Agents
MeSH PA	D018906	Antineoplastic Agents, Alkylating
CHEBI has role	CHEBI:35610	antineoplastic agent

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	12.82	acidic
pKa2	13.67	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Serine/threonine-protein kinase Chk2	Kinase	O96017	CHK2_HUMAN					WOMBAT-PK

External reference:

ID	Source
D04614	KEGG_DRUG
C0532362	UMLSCUI
CHEBI:135002	CHEBI
CHEMBL118218	ChEMBL_ID
DB05786	DRUGBANK_ID
C102714	MESH_SUPPLEMENTAL_RECORD_UI
148189	PUBCHEM_CID
7889	INN_ID
6B799IH05A	UNII

Pharmaceutical products:

None